1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine

C13H26N2 — CID 107429401

IUPAC1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
SMILESCC(C)CC1CCCC(N2CC(N)C2)C1
InChIInChI=1S/C13H26N2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(14)9-15/h10-13H,3-9,14H2,1-2H3
InChIKeyCARXACJXEQDKKX-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine

1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine (PubChem CID 107429401) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
PubChem CID107429401
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
SMILESCC(C)CC1CCCC(N2CC(N)C2)C1
InChIInChI=1S/C13H26N2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(14)9-15/h10-13H,3-9,14H2,1-2H3
InChIKeyCARXACJXEQDKKX-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
CID 107430456
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445
4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107430438
3-[1-[3-(2-methylpropyl)cyclohexyl]pyrrolidin-3-yl]propanoic acid
CID 107430477
1-(4-ethylcycloheptyl)azetidin-3-amine
CID 65244485
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
1-cyclobutyl-5-propan-2-ylpiperidin-3-amine
CID 83989291
2-[4-[3-(2-methylpropyl)cyclohexyl]-1,4-diazepan-1-yl]acetic acid
CID 107430433
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine?
The IUPAC name of 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine (CID 107429401) is 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine.
What is the SMILES notation for 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine?
The canonical SMILES for 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine is CC(C)CC1CCCC(N2CC(N)C2)C1.
What is the InChIKey of 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine?
The InChIKey is CARXACJXEQDKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(14)9-15/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine?
1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine has a molecular weight of 210.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine is sourced from PubChem (CID 107429401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).