N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine

C15H24N2 — CID 115206831

IUPACN-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(N(C)CCNC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-4-13-5-9-15(10-6-13)17(2)12-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyBEWANOJVRCZZPQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds7

About N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 115206831) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
PubChem CID115206831
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(N(C)CCNC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-4-13-5-9-15(10-6-13)17(2)12-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyBEWANOJVRCZZPQ-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62556064
N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 115206869
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 60657574
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63502730
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201217

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine (CID 115206831) is N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(N(C)CCNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is BEWANOJVRCZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-13-5-9-15(10-6-13)17(2)12-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115206831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).