N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

C13H30N2O — CID 62257806

IUPACN-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCC(C)N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3
InChIKeyYKUHONCAIHWBQZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62257806) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62257806
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCC(C)N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3
InChIKeyYKUHONCAIHWBQZ-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 112664989
2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 165461904
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257913
1-methoxy-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine
CID 123868125
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
CID 62270584
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
CID 65296234

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62257806) is N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is COCC(C)N(C)CC(C)(C)CNC(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YKUHONCAIHWBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)14-9-13(4,5)10-15(6)12(3)8-16-7/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62257806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).