4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

C12H25N3O — CID 171150058

IUPAC4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCN(C)CC1CN(C2CCOCC2)CC1N
InChIInChI=1S/C12H25N3O/c1-14(2)7-10-8-15(9-12(10)13)11-3-5-16-6-4-11/h10-12H,3-9,13H2,1-2H3
InChIKeyKYNYQBZNJCCPSU-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds3

About 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine

4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 171150058) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID171150058
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCN(C)CC1CN(C2CCOCC2)CC1N
InChIInChI=1S/C12H25N3O/c1-14(2)7-10-8-15(9-12(10)13)11-3-5-16-6-4-11/h10-12H,3-9,13H2,1-2H3
InChIKeyKYNYQBZNJCCPSU-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine (CID 171150058) is 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine is CN(C)CC1CN(C2CCOCC2)CC1N.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is KYNYQBZNJCCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14(2)7-10-8-15(9-12(10)13)11-3-5-16-6-4-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine?
4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 171150058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).