ethane;4-methylcyclohexan-1-amine

C11H27N — CID 142937577

IUPACethane;4-methylcyclohexan-1-amine
SMILESCC.CC.CC1CCC(N)CC1
InChIInChI=1S/C7H15N.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;2*1-2H3
InChIKeyZBRITULNQPKBHX-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.58
Rot. Bonds

About ethane;4-methylcyclohexan-1-amine

ethane;4-methylcyclohexan-1-amine (PubChem CID 142937577) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-methylcyclohexan-1-amine
PubChem CID142937577
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;4-methylcyclohexan-1-amine
SMILESCC.CC.CC1CCC(N)CC1
InChIInChI=1S/C7H15N.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;2*1-2H3
InChIKeyZBRITULNQPKBHX-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methanol;4-methylcyclohexan-1-amine
CID 142967747
4-methylcyclohexan-1-amine;undecane
CID 175032759
4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
CID 160976846
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
(1R)-3-methylcyclopentan-1-amine
CID 58346799
ethane;methylcyclopropane
CID 158329065
4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
CID 112562280
heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
5-methylcyclododecan-1-amine
CID 138488786
ethane;methane;methylcyclopropane
CID 159551011

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylcyclohexan-1-amine?
The IUPAC name of ethane;4-methylcyclohexan-1-amine (CID 142937577) is ethane;4-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-methylcyclohexan-1-amine?
The canonical SMILES for ethane;4-methylcyclohexan-1-amine is CC.CC.CC1CCC(N)CC1.
What is the InChIKey of ethane;4-methylcyclohexan-1-amine?
The InChIKey is ZBRITULNQPKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C2H6/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methylcyclohexan-1-amine?
ethane;4-methylcyclohexan-1-amine has a molecular weight of 173.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylcyclohexan-1-amine is sourced from PubChem (CID 142937577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).