N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine

C18H31N3 — CID 104692323

IUPACN-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCCN1Cc1ccc(CNC(C)C)cn1
InChIInChI=1S/C18H31N3/c1-4-18-8-6-5-7-11-21(18)14-17-10-9-16(13-20-17)12-19-15(2)3/h9-10,13,15,18-19H,4-8,11-12,14H2,1-3H3
InChIKeyLKWOXDKORNCQND-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.73
Rot. Bonds6

About N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine

N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 104692323) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
PubChem CID104692323
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCCN1Cc1ccc(CNC(C)C)cn1
InChIInChI=1S/C18H31N3/c1-4-18-8-6-5-7-11-21(18)14-17-10-9-16(13-20-17)12-19-15(2)3/h9-10,13,15,18-19H,4-8,11-12,14H2,1-3H3
InChIKeyLKWOXDKORNCQND-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine (CID 104692323) is N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine is CCC1CCCCCN1Cc1ccc(CNC(C)C)cn1.
What is the InChIKey of N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is LKWOXDKORNCQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-18-8-6-5-7-11-21(18)14-17-10-9-16(13-20-17)12-19-15(2)3/h9-10,13,15,18-19H,4-8,11-12,14H2,1-3H3.
What are the key properties of N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine?
N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 104692323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).