N-butan-2-ylbicyclo[2.2.1]heptan-2-amine

C11H21N — CID 61308765

IUPACN-butan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C11H21N/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3
InChIKeyUOBRJMBHSZYYBM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds3

About N-butan-2-ylbicyclo[2.2.1]heptan-2-amine

N-butan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 61308765) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-butan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-butan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID61308765
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-butan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C11H21N/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3
InChIKeyUOBRJMBHSZYYBM-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-butan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 61308765) is N-butan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-butan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-butan-2-ylbicyclo[2.2.1]heptan-2-amine is CCC(C)NC1CC2CCC1C2.
What is the InChIKey of N-butan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UOBRJMBHSZYYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3.
What are the key properties of N-butan-2-ylbicyclo[2.2.1]heptan-2-amine?
N-butan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).