2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine

C12H23N — CID 65019888

IUPAC2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-9(2)5-6-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyHXMKXAGZJHPTLZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine

2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65019888) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65019888
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-9(2)5-6-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyHXMKXAGZJHPTLZ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine (CID 65019888) is 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine is CC(C)CCC1(N)CC2CCC1C2.
What is the InChIKey of 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HXMKXAGZJHPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)5-6-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine?
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65019888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).