N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine

C12H26N2O — CID 61436349

IUPACN'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-8-14(3)10-12-6-4-5-9-15-12/h11-13H,4-10H2,1-3H3
InChIKeyDGCSPRPYRRMBOI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 61436349) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID61436349
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-8-14(3)10-12-6-4-5-9-15-12/h11-13H,4-10H2,1-3H3
InChIKeyDGCSPRPYRRMBOI-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62437130
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine (CID 61436349) is N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)CC1CCCCO1.
What is the InChIKey of N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is DGCSPRPYRRMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)13-7-8-14(3)10-12-6-4-5-9-15-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 61436349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).