2,2-dicyclohexylbutane-1,3-diamine

C16H32N2 — CID 23345386

IUPAC2,2-dicyclohexylbutane-1,3-diamine
SMILESCC(N)C(CN)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-13(18)16(12-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12,17-18H2,1H3
InChIKeyQNIGCBUZQLPVFM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds4

About 2,2-dicyclohexylbutane-1,3-diamine

2,2-dicyclohexylbutane-1,3-diamine (PubChem CID 23345386) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,2-dicyclohexylbutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dicyclohexylbutane-1,3-diamine
PubChem CID23345386
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,2-dicyclohexylbutane-1,3-diamine
SMILESCC(N)C(CN)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-13(18)16(12-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12,17-18H2,1H3
InChIKeyQNIGCBUZQLPVFM-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylbutane-1,3-diamine?
The IUPAC name of 2,2-dicyclohexylbutane-1,3-diamine (CID 23345386) is 2,2-dicyclohexylbutane-1,3-diamine.
What is the SMILES notation for 2,2-dicyclohexylbutane-1,3-diamine?
The canonical SMILES for 2,2-dicyclohexylbutane-1,3-diamine is CC(N)C(CN)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylbutane-1,3-diamine?
The InChIKey is QNIGCBUZQLPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(18)16(12-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12,17-18H2,1H3.
What are the key properties of 2,2-dicyclohexylbutane-1,3-diamine?
2,2-dicyclohexylbutane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylbutane-1,3-diamine is sourced from PubChem (CID 23345386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).