9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H24N2 — CID 62713964

IUPAC9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CC1
InChIInChI=1S/C13H24N2/c1-14-11-7-12-3-2-4-13(8-11)15(12)9-10-5-6-10/h10-14H,2-9H2,1H3
InChIKeyRUDBUTYIJQPYGW-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.00
Rot. Bonds3

About 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713964) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713964
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CC1
InChIInChI=1S/C13H24N2/c1-14-11-7-12-3-2-4-13(8-11)15(12)9-10-5-6-10/h10-14H,2-9H2,1H3
InChIKeyRUDBUTYIJQPYGW-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713964) is 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is RUDBUTYIJQPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-14-11-7-12-3-2-4-13(8-11)15(12)9-10-5-6-10/h10-14H,2-9H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).