N-propan-2-ylbicyclo[3.3.1]nonan-3-amine

C12H23N — CID 59530623

IUPACN-propan-2-ylbicyclo[3.3.1]nonan-3-amine
SMILESCC(C)NC1CC2CCCC(C2)C1
InChIInChI=1S/C12H23N/c1-9(2)13-12-7-10-4-3-5-11(6-10)8-12/h9-13H,3-8H2,1-2H3
InChIKeyYIQDQYBNPOUDNK-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds2

About N-propan-2-ylbicyclo[3.3.1]nonan-3-amine

N-propan-2-ylbicyclo[3.3.1]nonan-3-amine (PubChem CID 59530623) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-propan-2-ylbicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-propan-2-ylbicyclo[3.3.1]nonan-3-amine
PubChem CID59530623
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-propan-2-ylbicyclo[3.3.1]nonan-3-amine
SMILESCC(C)NC1CC2CCCC(C2)C1
InChIInChI=1S/C12H23N/c1-9(2)13-12-7-10-4-3-5-11(6-10)8-12/h9-13H,3-8H2,1-2H3
InChIKeyYIQDQYBNPOUDNK-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-propan-2-ylbicyclo[3.3.1]nonan-3-amine (CID 59530623) is N-propan-2-ylbicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-propan-2-ylbicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-propan-2-ylbicyclo[3.3.1]nonan-3-amine is CC(C)NC1CC2CCCC(C2)C1.
What is the InChIKey of N-propan-2-ylbicyclo[3.3.1]nonan-3-amine?
The InChIKey is YIQDQYBNPOUDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)13-12-7-10-4-3-5-11(6-10)8-12/h9-13H,3-8H2,1-2H3.
What are the key properties of N-propan-2-ylbicyclo[3.3.1]nonan-3-amine?
N-propan-2-ylbicyclo[3.3.1]nonan-3-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 59530623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).