1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine

C17H28N2O — CID 83054292

IUPAC1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-16(12-18-15-8-9-15)19(2)13-14-6-10-17(20-3)11-7-14/h6-7,10-11,15-16,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyKMSVKIXCKOVRNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds9

About 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine

1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine (PubChem CID 83054292) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
PubChem CID83054292
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-16(12-18-15-8-9-15)19(2)13-14-6-10-17(20-3)11-7-14/h6-7,10-11,15-16,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyKMSVKIXCKOVRNK-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
CID 83054358
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
1-N-cyclopropyl-2-N-methyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 83054076
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine (CID 83054292) is 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine is CCCC(CNC1CC1)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The InChIKey is KMSVKIXCKOVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-16(12-18-15-8-9-15)19(2)13-14-6-10-17(20-3)11-7-14/h6-7,10-11,15-16,18H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine is sourced from PubChem (CID 83054292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).