(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine

C14H27N2+ — CID 91407704

IUPAC(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine
SMILES[H]/N=C/C(C)C(CC)/C(=C/CC)NCC[CH+]C
InChIInChI=1S/C14H27N2/c1-5-8-10-16-14(9-6-2)13(7-3)12(4)11-15/h5,9,11-13,15-16H,6-8,10H2,1-4H3/q+1/b14-9-,15-11+
InChIKeyCLRSCAZNSIOPLT-GNESMGCMSA-N
MW223.38 g/mol
LogP3.80
Rot. Bonds9

About (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine

(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine (PubChem CID 91407704) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine.

Molecular Properties

Compound Name(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine
PubChem CID91407704
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine
SMILES[H]/N=C/C(C)C(CC)/C(=C/CC)NCC[CH+]C
InChIInChI=1S/C14H27N2/c1-5-8-10-16-14(9-6-2)13(7-3)12(4)11-15/h5,9,11-13,15-16H,6-8,10H2,1-4H3/q+1/b14-9-,15-11+
InChIKeyCLRSCAZNSIOPLT-GNESMGCMSA-N
XLogP3.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine with MolForge

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Related Compounds

2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine
CID 167006267
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
N-[1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-3-iminopropan-1-amine
CID 90048178
(Z)-N,2,2,4-tetramethyl-7-(propylideneamino)oct-6-en-4-amine
CID 91119275
(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine
CID 130387950
4-[(3R)-6-methyl-3,4-dihydropyridin-3-yl]azepane
CID 139423570
6-Piperidin-4-yl-3,4-dihydropyridine
CID 142892723
N-(1-imino-4-methylpentan-2-yl)-5-methylhex-1-en-2-amine
CID 145519770
6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
CID 146207418
3-ethyl-5-imino-N-methylpent-1-en-2-amine
CID 156315151

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine?
The IUPAC name of (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine (CID 91407704) is (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine.
What is the SMILES notation for (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine?
The canonical SMILES for (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine is [H]/N=C/C(C)C(CC)/C(=C/CC)NCC[CH+]C.
What is the InChIKey of (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine?
The InChIKey is CLRSCAZNSIOPLT-GNESMGCMSA-N. The full InChI is InChI=1S/C14H27N2/c1-5-8-10-16-14(9-6-2)13(7-3)12(4)11-15/h5,9,11-13,15-16H,6-8,10H2,1-4H3/q+1/b14-9-,15-11+.
What are the key properties of (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine?
(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine has a molecular weight of 223.38 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine is sourced from PubChem (CID 91407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).