N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine

C17H28N2O — CID 62435033

IUPACN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
SMILESCOc1ccc(CN(C)CCCCCNC2CC2)cc1
InChIInChI=1S/C17H28N2O/c1-19(13-5-3-4-12-18-16-8-9-16)14-15-6-10-17(20-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyOEZSGXHDNYFFOD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds10

About N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine

N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine (PubChem CID 62435033) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
PubChem CID62435033
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
SMILESCOc1ccc(CN(C)CCCCCNC2CC2)cc1
InChIInChI=1S/C17H28N2O/c1-19(13-5-3-4-12-18-16-8-9-16)14-15-6-10-17(20-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyOEZSGXHDNYFFOD-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine (CID 62435033) is N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine is COc1ccc(CN(C)CCCCCNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The InChIKey is OEZSGXHDNYFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(13-5-3-4-12-18-16-8-9-16)14-15-6-10-17(20-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 62435033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).