N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine

C13H25N — CID 62117996

IUPACN-hexan-3-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCC(CC)NC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-3-5-12(4-2)14-13-9-10-6-7-11(13)8-10/h10-14H,3-9H2,1-2H3
InChIKeyYSYKDHCSJVUVKR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds5

About N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine

N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 62117996) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-hexan-3-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID62117996
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hexan-3-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCC(CC)NC1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-3-5-12(4-2)14-13-9-10-6-7-11(13)8-10/h10-14H,3-9H2,1-2H3
InChIKeyYSYKDHCSJVUVKR-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine (CID 62117996) is N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine is CCCC(CC)NC1CC2CCC1C2.
What is the InChIKey of N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is YSYKDHCSJVUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-12(4-2)14-13-9-10-6-7-11(13)8-10/h10-14H,3-9H2,1-2H3.
What are the key properties of N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine?
N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 62117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).