N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C13H26N2 — CID 61232461

IUPACN-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2/c1-4-7-15(10(2)3)13-8-11-5-6-12(9-13)14-11/h10-14H,4-9H2,1-3H3
InChIKeyCYLSWHORXRESQU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds4

About N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232461) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232461
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2/c1-4-7-15(10(2)3)13-8-11-5-6-12(9-13)14-11/h10-14H,4-9H2,1-3H3
InChIKeyCYLSWHORXRESQU-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 80561596
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61333588
N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63085857
N-[1-(3-chlorophenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231118
N-ethyl-N-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232830
N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113490124
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83109805
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54957813
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232461) is N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CYLSWHORXRESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-15(10(2)3)13-8-11-5-6-12(9-13)14-11/h10-14H,4-9H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).