N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline

C26H42N4 — CID 134525507

IUPACN-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline
SMILES[H]/N=C/c1c(CC(C)C)cc(C2CCN(C3CCNCC3)CC2)cc1NC1CCCC1
InChIInChI=1S/C26H42N4/c1-19(2)15-22-16-21(17-26(25(22)18-27)29-23-5-3-4-6-23)20-9-13-30(14-10-20)24-7-11-28-12-8-24/h16-20,23-24,27-29H,3-15H2,1-2H3/b27-18+
InChIKeyVZJFQCLRAOJBGN-OVVQPSECSA-N
MW410.65 g/mol
LogP5.17
Rot. Bonds7

About N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline

N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline (PubChem CID 134525507) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline
PubChem CID134525507
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC NameN-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline
SMILES[H]/N=C/c1c(CC(C)C)cc(C2CCN(C3CCNCC3)CC2)cc1NC1CCCC1
InChIInChI=1S/C26H42N4/c1-19(2)15-22-16-21(17-26(25(22)18-27)29-23-5-3-4-6-23)20-9-13-30(14-10-20)24-7-11-28-12-8-24/h16-20,23-24,27-29H,3-15H2,1-2H3/b27-18+
InChIKeyVZJFQCLRAOJBGN-OVVQPSECSA-N
XLogP5.17
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-cyclopentyl-5-(1-hexan-3-ylpiperidin-4-yl)-2-methanimidoyl-3-methylaniline
CID 134525735
1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine
CID 90714937
1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine
CID 91171618
2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 143308595
4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
CID 84605686
1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine
CID 141237448
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
CID 135347545
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
5-bromo-3-(cyclopentylamino)-N-[[4-(hydroxymethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methanimidoylbenzamide
CID 123422408

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline?
The IUPAC name of N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline (CID 134525507) is N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline.
What is the SMILES notation for N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline?
The canonical SMILES for N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline is [H]/N=C/c1c(CC(C)C)cc(C2CCN(C3CCNCC3)CC2)cc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline?
The InChIKey is VZJFQCLRAOJBGN-OVVQPSECSA-N. The full InChI is InChI=1S/C26H42N4/c1-19(2)15-22-16-21(17-26(25(22)18-27)29-23-5-3-4-6-23)20-9-13-30(14-10-20)24-7-11-28-12-8-24/h16-20,23-24,27-29H,3-15H2,1-2H3/b27-18+.
What are the key properties of N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline?
N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline has a molecular weight of 410.65 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methanimidoyl-3-(2-methylpropyl)-5-(1-piperidin-4-ylpiperidin-4-yl)aniline is sourced from PubChem (CID 134525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).