N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine

C14H22N2O — CID 113410343

IUPACN'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CNCCCNC2CC2)c1
InChIInChI=1S/C14H22N2O/c1-17-14-5-2-4-12(10-14)11-15-8-3-9-16-13-6-7-13/h2,4-5,10,13,15-16H,3,6-9,11H2,1H3
InChIKeyJPYCQXLQYOJWHV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds8

About N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 113410343) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
PubChem CID113410343
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CNCCCNC2CC2)c1
InChIInChI=1S/C14H22N2O/c1-17-14-5-2-4-12(10-14)11-15-8-3-9-16-13-6-7-13/h2,4-5,10,13,15-16H,3,6-9,11H2,1H3
InChIKeyJPYCQXLQYOJWHV-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
5-[(3-methoxyphenyl)methylamino]pentanenitrile
CID 60690756

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine (CID 113410343) is N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine is COc1cccc(CNCCCNC2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is JPYCQXLQYOJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-5-2-4-12(10-14)11-15-8-3-9-16-13-6-7-13/h2,4-5,10,13,15-16H,3,6-9,11H2,1H3.
What are the key properties of N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 113410343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).