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

C14H22N4 — CID 61232894

IUPACN-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4/c1-2-8-18(14-15-6-3-7-16-14)13-9-11-4-5-12(10-13)17-11/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3
InChIKeyPUQCLVLYYXWBNS-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.98
Rot. Bonds4

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

N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232894) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232894
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4/c1-2-8-18(14-15-6-3-7-16-14)13-9-11-4-5-12(10-13)17-11/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3
InChIKeyPUQCLVLYYXWBNS-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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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232894) is N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(c1ncccn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PUQCLVLYYXWBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-8-18(14-15-6-3-7-16-14)13-9-11-4-5-12(10-13)17-11/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3.
What are the key properties of N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-N-pyrimidin-2-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-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).