N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine

C15H24N2 — CID 43192316

IUPACN-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC(NCCCN(C)c1ccccc1)C1CC1
InChIInChI=1S/C15H24N2/c1-13(14-9-10-14)16-11-6-12-17(2)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3
InChIKeyKWOSROCWIVXCIW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.90
Rot. Bonds7

About N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 43192316) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID43192316
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC(NCCCN(C)c1ccccc1)C1CC1
InChIInChI=1S/C15H24N2/c1-13(14-9-10-14)16-11-6-12-17(2)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3
InChIKeyKWOSROCWIVXCIW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
N-heptan-3-yl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63946266
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
CID 43192320
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
CID 115676904

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 43192316) is N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine is CC(NCCCN(C)c1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is KWOSROCWIVXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-9-10-14)16-11-6-12-17(2)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 43192316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).