3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine

C13H28N2 — CID 64598761

IUPAC3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
SMILESCC(C)C(C)CNCC1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h10-13,15H,4-9,14H2,1-3H3
InChIKeyFYNQGFFANWOIRR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.39
Rot. Bonds5

About 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine

3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine (PubChem CID 64598761) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
PubChem CID64598761
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
SMILESCC(C)C(C)CNCC1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h10-13,15H,4-9,14H2,1-3H3
InChIKeyFYNQGFFANWOIRR-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine (CID 64598761) is 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine is CC(C)C(C)CNCC1CCCC(N)C1.
What is the InChIKey of 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine?
The InChIKey is FYNQGFFANWOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h10-13,15H,4-9,14H2,1-3H3.
What are the key properties of 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine?
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64598761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).