2-cyclohexyl-4-phenylbutane-1,3-diamine

C16H26N2 — CID 20848425

IUPAC2-cyclohexyl-4-phenylbutane-1,3-diamine
SMILESNCC(C(N)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H26N2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12,17-18H2
InChIKeyCLRNFNFGVZLRAJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.71
Rot. Bonds5

About 2-cyclohexyl-4-phenylbutane-1,3-diamine

2-cyclohexyl-4-phenylbutane-1,3-diamine (PubChem CID 20848425) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-phenylbutane-1,3-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-phenylbutane-1,3-diamine
PubChem CID20848425
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-cyclohexyl-4-phenylbutane-1,3-diamine
SMILESNCC(C(N)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H26N2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12,17-18H2
InChIKeyCLRNFNFGVZLRAJ-UHFFFAOYSA-N
XLogP2.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-phenylethanamine
CID 50988646
2-cyclohexylpropylbenzene
CID 15846297
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
[(2S,3R)-3-amino-4-cyclohexyl-5-phenylpentan-2-yl]carbamic acid
CID 67189068
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-phenylbutane-1,3-diamine?
The IUPAC name of 2-cyclohexyl-4-phenylbutane-1,3-diamine (CID 20848425) is 2-cyclohexyl-4-phenylbutane-1,3-diamine.
What is the SMILES notation for 2-cyclohexyl-4-phenylbutane-1,3-diamine?
The canonical SMILES for 2-cyclohexyl-4-phenylbutane-1,3-diamine is NCC(C(N)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-phenylbutane-1,3-diamine?
The InChIKey is CLRNFNFGVZLRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12,17-18H2.
What are the key properties of 2-cyclohexyl-4-phenylbutane-1,3-diamine?
2-cyclohexyl-4-phenylbutane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-phenylbutane-1,3-diamine is sourced from PubChem (CID 20848425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).