N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine

C12H26N2O — CID 115252718

IUPACN-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNC1CCOCC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)11(8-13-3)9-14-12-4-6-15-7-5-12/h10-14H,4-9H2,1-3H3
InChIKeyWXWDEZCQLYPMDW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds6

About N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine

N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252718) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252718
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNC1CCOCC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)11(8-13-3)9-14-12-4-6-15-7-5-12/h10-14H,4-9H2,1-3H3
InChIKeyWXWDEZCQLYPMDW-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine (CID 115252718) is N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine is CNCC(CNC1CCOCC1)C(C)C.
What is the InChIKey of N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is WXWDEZCQLYPMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)11(8-13-3)9-14-12-4-6-15-7-5-12/h10-14H,4-9H2,1-3H3.
What are the key properties of N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine?
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).