N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide

C18H34N4O — CID 109483223

IUPACN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide
SMILESC=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC
InChIInChI=1S/C18H34N4O/c1-4-6-7-8-9-15-22(3)18(19-5-2)20-14-10-11-17(23)21-16-12-13-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23)
InChIKeyIBSINNDINODMFY-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.69
Rot. Bonds12

About N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide

N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide (PubChem CID 109483223) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide
PubChem CID109483223
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide
SMILESC=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC
InChIInChI=1S/C18H34N4O/c1-4-6-7-8-9-15-22(3)18(19-5-2)20-14-10-11-17(23)21-16-12-13-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23)
InChIKeyIBSINNDINODMFY-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.69
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

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-[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]-2,2-dimethylpropanamide
CID 109482971
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109482998
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
CID 109482999
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109483052
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109483053
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 109483162
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 109483163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide (CID 109483223) is N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide is C=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC.
What is the InChIKey of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide?
The InChIKey is IBSINNDINODMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-4-6-7-8-9-15-22(3)18(19-5-2)20-14-10-11-17(23)21-16-12-13-16/h4,16H,1,5-15H2,2-3H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide?
N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide has a molecular weight of 322.50 g/mol, XLogP of 2.69, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide is sourced from PubChem (CID 109483223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).