N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine

C18H31N3 — CID 104690210

IUPACN-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(N2CCCCCC2CC)c1
InChIInChI=1S/C18H31N3/c1-4-11-19-15(3)16-10-12-20-18(14-16)21-13-8-6-7-9-17(21)5-2/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3
InChIKeyIGIVCXRSCWJBGI-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.30
Rot. Bonds6

About N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine

N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine (PubChem CID 104690210) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine
PubChem CID104690210
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(N2CCCCCC2CC)c1
InChIInChI=1S/C18H31N3/c1-4-11-19-15(3)16-10-12-20-18(14-16)21-13-8-6-7-9-17(21)5-2/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3
InChIKeyIGIVCXRSCWJBGI-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine (CID 104690210) is N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccnc(N2CCCCCC2CC)c1.
What is the InChIKey of N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine?
The InChIKey is IGIVCXRSCWJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-19-15(3)16-10-12-20-18(14-16)21-13-8-6-7-9-17(21)5-2/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3.
What are the key properties of N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine?
N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 104690210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).