N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline

C24H39N3 — CID 134525735

IUPACN-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline
SMILES[H]/N=C/c1c(C)cc(C2CCN(C(CC)CCC)CC2)cc1NC1CCCC1
InChIInChI=1S/C24H39N3/c1-4-8-22(5-2)27-13-11-19(12-14-27)20-15-18(3)23(17-25)24(16-20)26-21-9-6-7-10-21/h15-17,19,21-22,25-26H,4-14H2,1-3H3/b25-17+
InChIKeyAQMORMTZMIQVDD-KOEQRZSOSA-N
MW369.60 g/mol
LogP6.11
Rot. Bonds8

About N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline

N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline (PubChem CID 134525735) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline
PubChem CID134525735
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC NameN-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline
SMILES[H]/N=C/c1c(C)cc(C2CCN(C(CC)CCC)CC2)cc1NC1CCCC1
InChIInChI=1S/C24H39N3/c1-4-8-22(5-2)27-13-11-19(12-14-27)20-15-18(3)23(17-25)24(16-20)26-21-9-6-7-10-21/h15-17,19,21-22,25-26H,4-14H2,1-3H3/b25-17+
InChIKeyAQMORMTZMIQVDD-KOEQRZSOSA-N
XLogP6.11
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline
CID 134525507
3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-5-(1-piperidin-4-ylpiperidin-4-yl)benzamide
CID 130459778
3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide
CID 130460078
2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine
CID 146238813
1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
3-methanimidoyl-6-methyl-1-[(4-methylphenyl)methyl]-4-(oxan-4-ylamino)pyridin-2-one
CID 155014628
(2R)-1-[[3-(cyclopentylamino)-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methanimidoylphenyl]methyl]pyrrolidine-2-carboxamide
CID 130460106
N-(3-bromo-2-methanimidoyl-4-methylphenyl)oxan-2-amine
CID 177026949
3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 130460281
3-(cyclopentylamino)-2-methanimidoyl-N-[[6-methyl-2-oxo-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-3-yl]methyl]benzamide
CID 130459738
5-bromo-3-(cyclopentylamino)-N-[[4-(hydroxymethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methanimidoylbenzamide
CID 123422408
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline?
The IUPAC name of N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline (CID 134525735) is N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline.
What is the SMILES notation for N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline?
The canonical SMILES for N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline is [H]/N=C/c1c(C)cc(C2CCN(C(CC)CCC)CC2)cc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline?
The InChIKey is AQMORMTZMIQVDD-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H39N3/c1-4-8-22(5-2)27-13-11-19(12-14-27)20-15-18(3)23(17-25)24(16-20)26-21-9-6-7-10-21/h15-17,19,21-22,25-26H,4-14H2,1-3H3/b25-17+.
What are the key properties of N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline?
N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline has a molecular weight of 369.60 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline is sourced from PubChem (CID 134525735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).