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

C19H36N4O — CID 111947391

IUPAC4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCCC1
InChIInChI=1S/C19H36N4O/c1-2-20-19(21-14-6-10-16-8-4-3-5-9-16)22-15-7-11-18(24)23-17-12-13-17/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyXRWAGYNYTIBMFH-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.96
Rot. Bonds10

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

4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide (PubChem CID 111947391) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
PubChem CID111947391
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCCC1
InChIInChI=1S/C19H36N4O/c1-2-20-19(21-14-6-10-16-8-4-3-5-9-16)22-15-7-11-18(24)23-17-12-13-17/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyXRWAGYNYTIBMFH-UHFFFAOYSA-N
XLogP2.96
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.96
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'}

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Related Compounds

4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]butanamide
CID 111370291
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
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111947635
N-[2-[[N'-(3-cyclohexylpropyl)-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928512
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide (CID 111947391) is 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide is CCN/C(=N\CCCC(=O)NC1CC1)NCCCC1CCCCC1.
What is the InChIKey of 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
The InChIKey is XRWAGYNYTIBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-2-20-19(21-14-6-10-16-8-4-3-5-9-16)22-15-7-11-18(24)23-17-12-13-17/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide?
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide has a molecular weight of 336.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 111947391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).