3-[methyl(oxan-2-ylmethyl)amino]propanenitrile

C10H18N2O — CID 43403608

IUPAC3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CCCCO1
InChIInChI=1S/C10H18N2O/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-5,7-9H2,1H3
InChIKeyYGUTYVWRGKULQL-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.40
Rot. Bonds4

About 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile

3-[methyl(oxan-2-ylmethyl)amino]propanenitrile (PubChem CID 43403608) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
PubChem CID43403608
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CCCCO1
InChIInChI=1S/C10H18N2O/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-5,7-9H2,1H3
InChIKeyYGUTYVWRGKULQL-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
CID 63029287
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile (CID 43403608) is 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile is CN(CCC#N)CC1CCCCO1.
What is the InChIKey of 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile?
The InChIKey is YGUTYVWRGKULQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-5,7-9H2,1H3.
What are the key properties of 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile?
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 43403608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).