1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C13H30N2O — CID 116500832

IUPAC1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCOCC(C)CNCC(CC(C)C)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)7-13(15(4)5)9-14-8-12(3)10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyLEVKBIFUDZMPDL-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.83
Rot. Bonds9

About 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 116500832) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID116500832
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCOCC(C)CNCC(CC(C)C)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)7-13(15(4)5)9-14-8-12(3)10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyLEVKBIFUDZMPDL-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115688254
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
CID 81414349
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
2-N,2-N,4-trimethyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 55099605
N-[(2,2-dimethylcyclopropyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 102672134
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103227433

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 116500832) is 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is COCC(C)CNCC(CC(C)C)N(C)C.
What is the InChIKey of 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is LEVKBIFUDZMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)7-13(15(4)5)9-14-8-12(3)10-16-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 116500832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).