[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine

C25H43N3 — CID 23141912

IUPAC[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
SMILESCCCCN1CCN(c2ccc(CN)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H43N3/c1-5-6-13-27-14-16-28(17-15-27)24-12-7-20(19-26)18-23(24)21-8-10-22(11-9-21)25(2,3)4/h7,12,18,21-22H,5-6,8-11,13-17,19,26H2,1-4H3
InChIKeyHWVZBYSGXJBRPG-UHFFFAOYSA-N
MW385.64 g/mol
LogP5.39
Rot. Bonds6

About [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine

[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine (PubChem CID 23141912) has the molecular formula C25H43N3 and a molecular weight of 385.64 g/mol. Its IUPAC name is [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
PubChem CID23141912
Molecular FormulaC25H43N3
Molecular Weight385.64 g/mol
Exact Mass385.35
IUPAC Name[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
SMILESCCCCN1CCN(c2ccc(CN)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H43N3/c1-5-6-13-27-14-16-28(17-15-27)24-12-7-20(19-26)18-23(24)21-8-10-22(11-9-21)25(2,3)4/h7,12,18,21-22H,5-6,8-11,13-17,19,26H2,1-4H3
InChIKeyHWVZBYSGXJBRPG-UHFFFAOYSA-N
XLogP5.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine (CID 23141912) is [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine is CCCCN1CCN(c2ccc(CN)cc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is HWVZBYSGXJBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3/c1-5-6-13-27-14-16-28(17-15-27)24-12-7-20(19-26)18-23(24)21-8-10-22(11-9-21)25(2,3)4/h7,12,18,21-22H,5-6,8-11,13-17,19,26H2,1-4H3.
What are the key properties of [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine?
[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 385.64 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 23141912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).