N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2 — CID 113490124

IUPACN-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C(C)CC1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-3-17(11(2)8-12-4-5-12)15-9-13-6-7-14(10-15)16-13/h11-16H,3-10H2,1-2H3
InChIKeyOUQGXVAHDAFLSS-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 113490124) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID113490124
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C(C)CC1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-3-17(11(2)8-12-4-5-12)15-9-13-6-7-14(10-15)16-13/h11-16H,3-10H2,1-2H3
InChIKeyOUQGXVAHDAFLSS-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 113490124) is N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(C(C)CC1CC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OUQGXVAHDAFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-17(11(2)8-12-4-5-12)15-9-13-6-7-14(10-15)16-13/h11-16H,3-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 113490124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).