4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine

C14H27N3 — CID 174077708

IUPAC4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(/N=C/C(C)=C(C)N)CC1
InChIInChI=1S/C14H27N3/c1-4-9-16-13-5-7-14(8-6-13)17-10-11(2)12(3)15/h10,13-14,16H,4-9,15H2,1-3H3/b12-11?,17-10+
InChIKeyHPCCRMYVLKMBTI-YNTCOAPHSA-N
MW237.39 g/mol
LogP2.62
Rot. Bonds5

About 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine

4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine (PubChem CID 174077708) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine
PubChem CID174077708
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(/N=C/C(C)=C(C)N)CC1
InChIInChI=1S/C14H27N3/c1-4-9-16-13-5-7-14(8-6-13)17-10-11(2)12(3)15/h10,13-14,16H,4-9,15H2,1-3H3/b12-11?,17-10+
InChIKeyHPCCRMYVLKMBTI-YNTCOAPHSA-N
XLogP2.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine (CID 174077708) is 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine is CCCNC1CCC(/N=C/C(C)=C(C)N)CC1.
What is the InChIKey of 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine?
The InChIKey is HPCCRMYVLKMBTI-YNTCOAPHSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-9-16-13-5-7-14(8-6-13)17-10-11(2)12(3)15/h10,13-14,16H,4-9,15H2,1-3H3/b12-11?,17-10+.
What are the key properties of 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine?
4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 174077708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).