1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine

C15H30N2O — CID 103225017

IUPAC1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCOCC(CNC1CC1)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)8-9-17(14-6-7-14)15(11-18-3)10-16-13-4-5-13/h12-16H,4-11H2,1-3H3
InChIKeyHWTCJBSYDYOKHS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds10

About 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine

1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 103225017) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID103225017
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCOCC(CNC1CC1)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)8-9-17(14-6-7-14)15(11-18-3)10-16-13-4-5-13/h12-16H,4-11H2,1-3H3
InChIKeyHWTCJBSYDYOKHS-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62437164
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
CID 103226975
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine (CID 103225017) is 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine is COCC(CNC1CC1)N(CCC(C)C)C1CC1.
What is the InChIKey of 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is HWTCJBSYDYOKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)8-9-17(14-6-7-14)15(11-18-3)10-16-13-4-5-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine?
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 10 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-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103225017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).