N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine

C14H22N2 — CID 65457651

IUPACN-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccncc1
InChIInChI=1S/C14H22N2/c1-2-8-16-14(11-12-4-3-5-12)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,2-5,8,11H2,1H3
InChIKeyQXJQKVSUKYNXSJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds6

About N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine

N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine (PubChem CID 65457651) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
PubChem CID65457651
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccncc1
InChIInChI=1S/C14H22N2/c1-2-8-16-14(11-12-4-3-5-12)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,2-5,8,11H2,1H3
InChIKeyQXJQKVSUKYNXSJ-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine (CID 65457651) is N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine is CCCNC(CC1CCC1)c1ccncc1.
What is the InChIKey of N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is QXJQKVSUKYNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-8-16-14(11-12-4-3-5-12)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,2-5,8,11H2,1H3.
What are the key properties of N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine?
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 65457651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).