4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide

C18H34N4O — CID 111946619

IUPAC4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCC1
InChIInChI=1S/C18H34N4O/c1-2-19-18(20-13-5-9-15-7-3-4-8-15)21-14-6-10-17(23)22-16-11-12-16/h15-16H,2-14H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyPPXVLXORIQOKRX-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.57
Rot. Bonds10

About 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide

4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide (PubChem CID 111946619) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
PubChem CID111946619
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCC1
InChIInChI=1S/C18H34N4O/c1-2-19-18(20-13-5-9-15-7-3-4-8-15)21-14-6-10-17(23)22-16-11-12-16/h15-16H,2-14H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyPPXVLXORIQOKRX-UHFFFAOYSA-N
XLogP2.57
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.57
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'}

Analyze 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]butanamide
CID 111370291
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
tert-butyl N-[2-[[N'-[4-(cyclopropylamino)-4-oxobutyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884562
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]butanamide;hydroiodide
CID 111400764
4-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111694062
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
N-cyclopropyl-4-[[ethylamino-(2-phenylethylamino)methylidene]amino]butanamide
CID 111135367
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111947635

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide (CID 111946619) is 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide is CCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCC1.
What is the InChIKey of 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The InChIKey is PPXVLXORIQOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-2-19-18(20-13-5-9-15-7-3-4-8-15)21-14-6-10-17(23)22-16-11-12-16/h15-16H,2-14H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide has a molecular weight of 322.50 g/mol, XLogP of 2.57, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 111946619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).