6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine

C13H25N — CID 130517388

IUPAC6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(C)C(C(C)C)C1(N)C2CCCC21
InChIInChI=1S/C13H25N/c1-8(2)12(9(3)4)13(14)10-6-5-7-11(10)13/h8-12H,5-7,14H2,1-4H3
InChIKeyKOXJMIMLMIZVDM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.04
Rot. Bonds3

About 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine

6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine (PubChem CID 130517388) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
PubChem CID130517388
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(C)C(C(C)C)C1(N)C2CCCC21
InChIInChI=1S/C13H25N/c1-8(2)12(9(3)4)13(14)10-6-5-7-11(10)13/h8-12H,5-7,14H2,1-4H3
InChIKeyKOXJMIMLMIZVDM-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
CID 79330475
(1S,2R,6S)-7,7-dibromo-2-methylbicyclo[4.1.0]heptane
CID 124921029
1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
CID 141199870
1-cyclobutylpropane-1,2-diamine
CID 116932568
7-tert-butylbicyclo[4.1.0]heptan-7-amine
CID 79330672
6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
CID 79330765
CID 134889286
CID 134889286
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170792756
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine (CID 130517388) is 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine is CC(C)C(C(C)C)C1(N)C2CCCC21.
What is the InChIKey of 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine?
The InChIKey is KOXJMIMLMIZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)12(9(3)4)13(14)10-6-5-7-11(10)13/h8-12H,5-7,14H2,1-4H3.
What are the key properties of 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine?
6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine has a molecular weight of 195.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 130517388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).