N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide

C21H34N4O — CID 111371685

IUPACN-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H34N4O/c1-5-22-21(24-13-12-23-20(26)15(2)3)25-16(4)18-11-10-17-8-6-7-9-19(17)14-18/h10-11,14-16H,5-9,12-13H2,1-4H3,(H,23,26)(H2,22,24,25)
InChIKeyOAODQEISUUGSCS-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.95
Rot. Bonds7

About N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide

N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide (PubChem CID 111371685) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide
PubChem CID111371685
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H34N4O/c1-5-22-21(24-13-12-23-20(26)15(2)3)25-16(4)18-11-10-17-8-6-7-9-19(17)14-18/h10-11,14-16H,5-9,12-13H2,1-4H3,(H,23,26)(H2,22,24,25)
InChIKeyOAODQEISUUGSCS-UHFFFAOYSA-N
XLogP2.95
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111371698
2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111371692
N-[2-[[[1-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111319745
1-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
CID 111518055
1-ethyl-2-[(4-hydroxyoxan-4-yl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine;hydroiodide
CID 111371690
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
1-[2-(2-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108900234
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111002228
2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
CID 111518057
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide (CID 111371685) is N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide is CCN/C(=N\CCNC(=O)C(C)C)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide?
The InChIKey is OAODQEISUUGSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-5-22-21(24-13-12-23-20(26)15(2)3)25-16(4)18-11-10-17-8-6-7-9-19(17)14-18/h10-11,14-16H,5-9,12-13H2,1-4H3,(H,23,26)(H2,22,24,25).
What are the key properties of N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide?
N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111371685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).