ethane;methanol;4-methylcyclohexan-1-amine

C10H25NO — CID 142967747

IUPACethane;methanol;4-methylcyclohexan-1-amine
SMILESCC.CC1CCC(N)CC1.CO
InChIInChI=1S/C7H15N.C2H6.CH4O/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;1-2H3;2H,1H3
InChIKeyKYJMGCAQRJQLEA-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.16
Rot. Bonds

About ethane;methanol;4-methylcyclohexan-1-amine

ethane;methanol;4-methylcyclohexan-1-amine (PubChem CID 142967747) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;methanol;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;methanol;4-methylcyclohexan-1-amine
PubChem CID142967747
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;methanol;4-methylcyclohexan-1-amine
SMILESCC.CC1CCC(N)CC1.CO
InChIInChI=1S/C7H15N.C2H6.CH4O/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;1-2H3;2H,1H3
InChIKeyKYJMGCAQRJQLEA-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methylcyclohexan-1-amine
CID 142937577
1,4-dimethylcyclohexane;methanol
CID 70358527
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
ethane;(4-methylcyclohexyl)methanol
CID 142233866

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-methylcyclohexan-1-amine?
The IUPAC name of ethane;methanol;4-methylcyclohexan-1-amine (CID 142967747) is ethane;methanol;4-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;methanol;4-methylcyclohexan-1-amine?
The canonical SMILES for ethane;methanol;4-methylcyclohexan-1-amine is CC.CC1CCC(N)CC1.CO.
What is the InChIKey of ethane;methanol;4-methylcyclohexan-1-amine?
The InChIKey is KYJMGCAQRJQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6.CH4O/c1-6-2-4-7(8)5-3-6;2*1-2/h6-7H,2-5,8H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-methylcyclohexan-1-amine?
ethane;methanol;4-methylcyclohexan-1-amine has a molecular weight of 175.32 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-methylcyclohexan-1-amine is sourced from PubChem (CID 142967747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).