1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine

C13H28N2O — CID 62624688

IUPAC1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOCCN(CCC(N)C(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(14)7-8-15(9-10-16-4)11-5-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyOODRUJNAJPPUJL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine

1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 62624688) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
PubChem CID62624688
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
SMILESCOCCN(CCC(N)C(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(14)7-8-15(9-10-16-4)11-5-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyOODRUJNAJPPUJL-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine with MolForge

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Related Compounds

(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine
CID 62623904
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
N-cyclopropyl-N-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 80544285
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
1-N-cyclopropyl-1-N-(2-methoxyethyl)-2-methylpentane-1,2-diamine
CID 61452864
N'-cyclopropyl-2-ethyl-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 62259426
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
CID 77110360
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine (CID 62624688) is 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine is COCCN(CCC(N)C(C)(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is OODRUJNAJPPUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)12(14)7-8-15(9-10-16-4)11-5-6-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine?
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 62624688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).