N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine

C12H19N3O — CID 62973167

IUPACN-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CN1CCCOCC1
InChIInChI=1S/C12H19N3O/c1-13-12-11(4-2-5-14-12)10-15-6-3-8-16-9-7-15/h2,4-5H,3,6-10H2,1H3,(H,13,14)
InChIKeyGWBWBLLDKQMFQF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine

N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine (PubChem CID 62973167) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
PubChem CID62973167
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CN1CCCOCC1
InChIInChI=1S/C12H19N3O/c1-13-12-11(4-2-5-14-12)10-15-6-3-8-16-9-7-15/h2,4-5H,3,6-10H2,1H3,(H,13,14)
InChIKeyGWBWBLLDKQMFQF-UHFFFAOYSA-N
XLogP1.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471252
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 110253457
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 110268922

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine (CID 62973167) is N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine is CNc1ncccc1CN1CCCOCC1.
What is the InChIKey of N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine?
The InChIKey is GWBWBLLDKQMFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-12-11(4-2-5-14-12)10-15-6-3-8-16-9-7-15/h2,4-5H,3,6-10H2,1H3,(H,13,14).
What are the key properties of N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine?
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62973167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).