N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine

C15H32N2O — CID 62430661

IUPACN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17(4)12-15-7-5-6-8-18-15/h13-16H,5-12H2,1-4H3
InChIKeyNHLFIHIWZNPGCT-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds8

About N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine

N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62430661) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID62430661
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17(4)12-15-7-5-6-8-18-15/h13-16H,5-12H2,1-4H3
InChIKeyNHLFIHIWZNPGCT-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
CID 104681987
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
CID 61431345
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine (CID 62430661) is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine is CC(C)CNCC(C)CN(C)CC1CCCCO1.
What is the InChIKey of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is NHLFIHIWZNPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)9-16-10-14(3)11-17(4)12-15-7-5-6-8-18-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine?
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62430661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).