4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine

C16H25ClN2 — CID 62431547

IUPAC4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13(5-4-10-18-16-8-9-16)19(2)12-14-6-3-7-15(17)11-14/h3,6-7,11,13,16,18H,4-5,8-10,12H2,1-2H3
InChIKeyJUDQTEUJRVOWKD-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds8

About 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine

4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine (PubChem CID 62431547) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
PubChem CID62431547
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13(5-4-10-18-16-8-9-16)19(2)12-14-6-3-7-15(17)11-14/h3,6-7,11,13,16,18H,4-5,8-10,12H2,1-2H3
InChIKeyJUDQTEUJRVOWKD-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62431023
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine (CID 62431547) is 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine is CC(CCCNC1CC1)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine?
The InChIKey is JUDQTEUJRVOWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(5-4-10-18-16-8-9-16)19(2)12-14-6-3-7-15(17)11-14/h3,6-7,11,13,16,18H,4-5,8-10,12H2,1-2H3.
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine?
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62431547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).