N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine

C12H26N2O — CID 62390416

IUPACN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C)CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)13-9-12(10-14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3
InChIKeySLLZBVUMYGWNJR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62390416) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62390416
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C)CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)13-9-12(10-14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3
InChIKeySLLZBVUMYGWNJR-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine (CID 62390416) is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)C)CCOCC1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is SLLZBVUMYGWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)13-9-12(10-14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62390416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).