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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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).