1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine

C11H26N2O — CID 61447801

IUPAC1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
SMILESCCN(CCOC)CC(N)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(6-7-14-4)9-11(12)8-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyLOSDUEGIJIEZHZ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.33
Rot. Bonds8

About 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine

1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine (PubChem CID 61447801) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
PubChem CID61447801
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
SMILESCCN(CCOC)CC(N)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(6-7-14-4)9-11(12)8-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyLOSDUEGIJIEZHZ-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 107473280
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine (CID 61447801) is 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine is CCN(CCOC)CC(N)CC(C)C.
What is the InChIKey of 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The InChIKey is LOSDUEGIJIEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(6-7-14-4)9-11(12)8-10(2)3/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 61447801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).