N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine

C21H42N2 — CID 70372023

IUPACN,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine
SMILESCC(CNC1CCCCC1)CC(C)(C)CCNC1CCCCC1
InChIInChI=1S/C21H42N2/c1-18(17-23-20-12-8-5-9-13-20)16-21(2,3)14-15-22-19-10-6-4-7-11-19/h18-20,22-23H,4-17H2,1-3H3
InChIKeyUUKCRTFXHOBMTQ-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.27
Rot. Bonds9

About N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine

N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine (PubChem CID 70372023) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine
PubChem CID70372023
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine
SMILESCC(CNC1CCCCC1)CC(C)(C)CCNC1CCCCC1
InChIInChI=1S/C21H42N2/c1-18(17-23-20-12-8-5-9-13-20)16-21(2,3)14-15-22-19-10-6-4-7-11-19/h18-20,22-23H,4-17H2,1-3H3
InChIKeyUUKCRTFXHOBMTQ-UHFFFAOYSA-N
XLogP5.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine?
The IUPAC name of N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine (CID 70372023) is N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine.
What is the SMILES notation for N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine?
The canonical SMILES for N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine is CC(CNC1CCCCC1)CC(C)(C)CCNC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine?
The InChIKey is UUKCRTFXHOBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-18(17-23-20-12-8-5-9-13-20)16-21(2,3)14-15-22-19-10-6-4-7-11-19/h18-20,22-23H,4-17H2,1-3H3.
What are the key properties of N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine?
N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine has a molecular weight of 322.58 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine is sourced from PubChem (CID 70372023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).