4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine

C14H28N2 — CID 81385078

IUPAC4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
SMILESC[C@@H](NC1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h11-14,16H,2-10,15H2,1H3/t11-,13?,14?/m1/s1
InChIKeyXCIDPLLMIRPUAD-LMWSTFAQSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds3

About 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine

4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine (PubChem CID 81385078) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
PubChem CID81385078
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
SMILESC[C@@H](NC1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h11-14,16H,2-10,15H2,1H3/t11-,13?,14?/m1/s1
InChIKeyXCIDPLLMIRPUAD-LMWSTFAQSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
CID 79461481
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine (CID 81385078) is 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine is C[C@@H](NC1CCC(N)CC1)C1CCCCC1.
What is the InChIKey of 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine?
The InChIKey is XCIDPLLMIRPUAD-LMWSTFAQSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h11-14,16H,2-10,15H2,1H3/t11-,13?,14?/m1/s1.
What are the key properties of 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine?
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 81385078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).