N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine

C16H26N2 — CID 62437096

IUPACN-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-4-18(16-9-5-13(2)6-10-16)12-14(3)11-17-15-7-8-15/h5-6,9-10,14-15,17H,4,7-8,11-12H2,1-3H3
InChIKeyDFKJIWGMQSHNKB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds7

About N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine

N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62437096) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID62437096
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-4-18(16-9-5-13(2)6-10-16)12-14(3)11-17-15-7-8-15/h5-6,9-10,14-15,17H,4,7-8,11-12H2,1-3H3
InChIKeyDFKJIWGMQSHNKB-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
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-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine (CID 62437096) is N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine is CCN(CC(C)CNC1CC1)c1ccc(C)cc1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is DFKJIWGMQSHNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(16-9-5-13(2)6-10-16)12-14(3)11-17-15-7-8-15/h5-6,9-10,14-15,17H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62437096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).