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

C18H35IN4O — CID 109483222

IUPACN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC.I
InChIInChI=1S/C18H34N4O.HI/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);1H
InChIKeyDWOVNSJANZULGI-UHFFFAOYSA-N
MW450.41 g/mol
LogP3.31
Rot. Bonds12

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

N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide (PubChem CID 109483222) has the molecular formula C18H35IN4O and a molecular weight of 450.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide
PubChem CID109483222
Molecular FormulaC18H35IN4O
Molecular Weight450.41 g/mol
Exact Mass450.19
IUPAC NameN-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC.I
InChIInChI=1S/C18H34N4O.HI/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);1H
InChIKeyDWOVNSJANZULGI-UHFFFAOYSA-N
XLogP3.31
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 53.31
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': 'iodine', '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;hydroiodide?
The IUPAC name of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide (CID 109483222) is N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide is C=CCCCCCN(C)/C(=N/CCCC(=O)NC1CC1)NCC.I.
What is the InChIKey of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide?
The InChIKey is DWOVNSJANZULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.HI/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);1H.
What are the key properties of N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide?
N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide has a molecular weight of 450.41 g/mol, XLogP of 3.31, 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;hydroiodide is sourced from PubChem (CID 109483222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).