1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine

C14H28N2O — CID 62437164

IUPAC1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
SMILESCOCCN(C1CC1)C(CNC1CC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)16(8-9-17-3)13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyHHTHHERKDLWABY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds9

About 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine

1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine (PubChem CID 62437164) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
PubChem CID62437164
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
SMILESCOCCN(C1CC1)C(CNC1CC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)16(8-9-17-3)13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyHHTHHERKDLWABY-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 62421973
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
4-[cyclopropyl(2-methoxyethyl)amino]pentan-2-ol
CID 64720380
4-N-cyclopropyl-4-N-(2-methoxyethyl)pentane-2,4-diamine
CID 64706170
2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 80998461
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine (CID 62437164) is 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine is COCCN(C1CC1)C(CNC1CC1)C(C)C.
What is the InChIKey of 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The InChIKey is HHTHHERKDLWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)16(8-9-17-3)13-6-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 62437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).