1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine

C12H24N2 — CID 80561761

IUPAC1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine
SMILESCC1CCCC(N(C)C2CC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-9-4-3-5-11(6-9)14(2)12-7-10(13)8-12/h9-12H,3-8,13H2,1-2H3
InChIKeyHJTSDKGZLLPBHN-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds2

About 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine

1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine (PubChem CID 80561761) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine
PubChem CID80561761
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine
SMILESCC1CCCC(N(C)C2CC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-9-4-3-5-11(6-9)14(2)12-7-10(13)8-12/h9-12H,3-8,13H2,1-2H3
InChIKeyHJTSDKGZLLPBHN-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231424
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
N-methyl-N-(3-methylcyclohexyl)piperidin-3-amine
CID 61446233
1-N,3,3-trimethyl-1-N-(3-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828438
(3S)-3-methylcyclohexan-1-amine
CID 55284906
3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine
CID 55108718
1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79464936
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
CID 82746077
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
N-methyl-N-(3-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 64516668

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine (CID 80561761) is 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine is CC1CCCC(N(C)C2CC(N)C2)C1.
What is the InChIKey of 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine?
The InChIKey is HJTSDKGZLLPBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-4-3-5-11(6-9)14(2)12-7-10(13)8-12/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine?
1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).