1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine

C13H28N2O — CID 106799560

IUPAC1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
SMILESCCC(CCCN(CCOC)C1CC1)NC
InChIInChI=1S/C13H28N2O/c1-4-12(14-2)6-5-9-15(10-11-16-3)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyOLRKRIIPBAELLD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds10

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

1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine (PubChem CID 106799560) 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-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
PubChem CID106799560
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
SMILESCCC(CCCN(CCOC)C1CC1)NC
InChIInChI=1S/C13H28N2O/c1-4-12(14-2)6-5-9-15(10-11-16-3)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyOLRKRIIPBAELLD-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
CID 62624688
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine (CID 106799560) is 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine is CCC(CCCN(CCOC)C1CC1)NC.
What is the InChIKey of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine?
The InChIKey is OLRKRIIPBAELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(14-2)6-5-9-15(10-11-16-3)13-7-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine?
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 10 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-N-methylhexane-1,4-diamine is sourced from PubChem (CID 106799560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).