N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine

C12H20N2 — CID 23273843

IUPACN-propyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCC)Cc1cccnc1
InChIInChI=1S/C12H20N2/c1-3-8-14(9-4-2)11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyGVHIPEJHZMNUQS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds6

About N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine

N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 23273843) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID23273843
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-propyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCC)Cc1cccnc1
InChIInChI=1S/C12H20N2/c1-3-8-14(9-4-2)11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyGVHIPEJHZMNUQS-UHFFFAOYSA-N
XLogP2.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 23273843) is N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine is CCCN(CCC)Cc1cccnc1.
What is the InChIKey of N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is GVHIPEJHZMNUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-8-14(9-4-2)11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 23273843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).