methanol;N,N',N'-trimethylpropane-1,3-diamine

C7H20N2O — CID 172587497

IUPACmethanol;N,N',N'-trimethylpropane-1,3-diamine
SMILESCNCCCN(C)C.CO
InChIInChI=1S/C6H16N2.CH4O/c1-7-5-4-6-8(2)3;1-2/h7H,4-6H2,1-3H3;2H,1H3
InChIKeyCKDOZXXWKVCLEC-UHFFFAOYSA-N
MW148.25 g/mol
LogP-0.23
Rot. Bonds4

About methanol;N,N',N'-trimethylpropane-1,3-diamine

methanol;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 172587497) has the molecular formula C7H20N2O and a molecular weight of 148.25 g/mol. Its IUPAC name is methanol;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Namemethanol;N,N',N'-trimethylpropane-1,3-diamine
PubChem CID172587497
Molecular FormulaC7H20N2O
Molecular Weight148.25 g/mol
Exact Mass148.16
IUPAC Namemethanol;N,N',N'-trimethylpropane-1,3-diamine
SMILESCNCCCN(C)C.CO
InChIInChI=1S/C6H16N2.CH4O/c1-7-5-4-6-8(2)3;1-2/h7H,4-6H2,1-3H3;2H,1H3
InChIKeyCKDOZXXWKVCLEC-UHFFFAOYSA-N
XLogP-0.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
docosanoic acid;N,N',N'-trimethylpropane-1,3-diamine
CID 172819174
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994

Frequently Asked Questions

What is the IUPAC name of methanol;N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of methanol;N,N',N'-trimethylpropane-1,3-diamine (CID 172587497) is methanol;N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for methanol;N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for methanol;N,N',N'-trimethylpropane-1,3-diamine is CNCCCN(C)C.CO.
What is the InChIKey of methanol;N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is CKDOZXXWKVCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.CH4O/c1-7-5-4-6-8(2)3;1-2/h7H,4-6H2,1-3H3;2H,1H3.
What are the key properties of methanol;N,N',N'-trimethylpropane-1,3-diamine?
methanol;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 148.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 172587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).