2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine

C11H26N2O — CID 106675498

IUPAC2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCCN(CC)C(CN)CC(C)(C)OC
InChIInChI=1S/C11H26N2O/c1-6-13(7-2)10(9-12)8-11(3,4)14-5/h10H,6-9,12H2,1-5H3
InChIKeyWHIMOKXSEBXNTH-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds7

About 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine

2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675498) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675498
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCCN(CC)C(CN)CC(C)(C)OC
InChIInChI=1S/C11H26N2O/c1-6-13(7-2)10(9-12)8-11(3,4)14-5/h10H,6-9,12H2,1-5H3
InChIKeyWHIMOKXSEBXNTH-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675545
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
CID 106675630
3-(diethylamino)-5-methoxy-5-methylhexanoic acid
CID 106676479
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705
(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
CID 51624582
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine (CID 106675498) is 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine is CCN(CC)C(CN)CC(C)(C)OC.
What is the InChIKey of 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is WHIMOKXSEBXNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-13(7-2)10(9-12)8-11(3,4)14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine?
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).