N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide

C17H34N4O — CID 109482969

IUPACN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C17H34N4O/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22)
InChIKeyAZEYZJMIHXXXBG-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.40
Rot. Bonds9

About N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 109482969) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID109482969
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C17H34N4O/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22)
InChIKeyAZEYZJMIHXXXBG-UHFFFAOYSA-N
XLogP2.40
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.40
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-[[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]-2,2-dimethylpropanamide
CID 109482971
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-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide (CID 109482969) is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide is C=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is AZEYZJMIHXXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 310.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 109482969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).