1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine

C17H29N3 — CID 104689043

IUPAC1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccncc1)N1CCCCCC1CC
InChIInChI=1S/C17H29N3/c1-3-15-8-6-5-7-13-20(15)17(16(18)4-2)14-9-11-19-12-10-14/h9-12,15-17H,3-8,13,18H2,1-2H3
InChIKeyKQPMXPBYMYEQQR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine

1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine (PubChem CID 104689043) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
PubChem CID104689043
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(c1ccncc1)N1CCCCCC1CC
InChIInChI=1S/C17H29N3/c1-3-15-8-6-5-7-13-20(15)17(16(18)4-2)14-9-11-19-12-10-14/h9-12,15-17H,3-8,13,18H2,1-2H3
InChIKeyKQPMXPBYMYEQQR-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 104688989
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 102882843
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine (CID 104689043) is 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine is CCC(N)C(c1ccncc1)N1CCCCCC1CC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is KQPMXPBYMYEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-15-8-6-5-7-13-20(15)17(16(18)4-2)14-9-11-19-12-10-14/h9-12,15-17H,3-8,13,18H2,1-2H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine?
1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 104689043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).