N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine

C17H29N3 — CID 105074044

IUPACN-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-18-12-16-7-9-19-13-17(16)20-10-5-6-15(8-11-20)14(2)3/h7,9,13-15,18H,4-6,8,10-12H2,1-3H3
InChIKeyLGAWPZWFJRWWJE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.45
Rot. Bonds5

About N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine

N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 105074044) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID105074044
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-18-12-16-7-9-19-13-17(16)20-10-5-6-15(8-11-20)14(2)3/h7,9,13-15,18H,4-6,8,10-12H2,1-3H3
InChIKeyLGAWPZWFJRWWJE-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994
N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247593
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine (CID 105074044) is N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCCC(C(C)C)CC1.
What is the InChIKey of N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is LGAWPZWFJRWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-18-12-16-7-9-19-13-17(16)20-10-5-6-15(8-11-20)14(2)3/h7,9,13-15,18H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105074044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).