1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine

C13H28N2 — CID 64679108

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine
SMILESCCC(C)N(C)CCC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)15(3)11-10-13(14)8-6-5-7-9-13/h12H,4-11,14H2,1-3H3
InChIKeyYRVTWLYREWPCBJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine

1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 64679108) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine
PubChem CID64679108
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine
SMILESCCC(C)N(C)CCC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)15(3)11-10-13(14)8-6-5-7-9-13/h12H,4-11,14H2,1-3H3
InChIKeyYRVTWLYREWPCBJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
CID 64676910
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
CID 79842033
1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopropan-1-amine
CID 84763773
1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
CID 64677307
1-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclohexan-1-amine
CID 64679294
1-[3-(dimethylamino)propyl]cyclohexan-1-amine
CID 115074301
1-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-amine
CID 64679715
N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 64682462
1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine
CID 64682252
1-(4-ethylhexyl)cyclohexan-1-amine
CID 174863315
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 113440269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine (CID 64679108) is 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine is CCC(C)N(C)CCC1(N)CCCCC1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is YRVTWLYREWPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(2)15(3)11-10-13(14)8-6-5-7-9-13/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64679108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).