N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine

C14H22N4 — CID 107590090

IUPACN-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1cncnc1
InChIInChI=1S/C14H22N4/c1-2-5-17-11-6-12-3-4-13(7-11)18(12)14-8-15-10-16-9-14/h8-13,17H,2-7H2,1H3
InChIKeySRSHBWMJPYEWIZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.98
Rot. Bonds4

About N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107590090) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107590090
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1cncnc1
InChIInChI=1S/C14H22N4/c1-2-5-17-11-6-12-3-4-13(7-11)18(12)14-8-15-10-16-9-14/h8-13,17H,2-7H2,1H3
InChIKeySRSHBWMJPYEWIZ-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-nitrophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739121
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712900
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107249

Frequently Asked Questions

What is the IUPAC name of N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 107590090) is N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1cncnc1.
What is the InChIKey of N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SRSHBWMJPYEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-5-17-11-6-12-3-4-13(7-11)18(12)14-8-15-10-16-9-14/h8-13,17H,2-7H2,1H3.
What are the key properties of N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107590090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).