N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

C18H36N4O — CID 109482971

IUPACN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESC=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC
InChIInChI=1S/C18H36N4O/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23)
InChIKeyOIXMKCDFXKEAJU-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.79
Rot. Bonds10

About N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 109482971) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID109482971
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESC=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC
InChIInChI=1S/C18H36N4O/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23)
InChIKeyOIXMKCDFXKEAJU-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis(octadec-9-enyl)propanamide
CID 85067269
3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis[(E)-octadec-9-enyl]propanamide
CID 88235624
3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis[(Z)-octadec-9-enyl]propanamide
CID 9918235
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109482893
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
CID 109482960
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 109482961
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482968
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 109482969
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482970
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109482980
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
CID 109482981

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 109482971) is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is C=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC.
What is the InChIKey of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is OIXMKCDFXKEAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 324.51 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 109482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).