N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine

C13H18N2 — CID 62555206

IUPACN'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)c1cccc(C)c1
InChIInChI=1S/C13H18N2/c1-4-8-14-9-10-15(3)13-7-5-6-12(2)11-13/h1,5-7,11,14H,8-10H2,2-3H3
InChIKeyQQBLJKBFZNUNQJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.65
Rot. Bonds5

About N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine

N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62555206) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID62555206
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)c1cccc(C)c1
InChIInChI=1S/C13H18N2/c1-4-8-14-9-10-15(3)13-7-5-6-12(2)11-13/h1,5-7,11,14H,8-10H2,2-3H3
InChIKeyQQBLJKBFZNUNQJ-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79272166
N-(2-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554878
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62556023
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
CID 138691650
CID 138691650
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 62555206) is N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(C)c1cccc(C)c1.
What is the InChIKey of N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is QQBLJKBFZNUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-8-14-9-10-15(3)13-7-5-6-12(2)11-13/h1,5-7,11,14H,8-10H2,2-3H3.
What are the key properties of N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine?
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62555206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).