N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine

C13H22N2 — CID 28772740

IUPACN'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCC(C)c1ccccc1N(C)CCCN
InChIInChI=1S/C13H22N2/c1-11(2)12-7-4-5-8-13(12)15(3)10-6-9-14/h4-5,7-8,11H,6,9-10,14H2,1-3H3
InChIKeyNVXMVYYXUSATBC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.60
Rot. Bonds5

About N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine

N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 28772740) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID28772740
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCC(C)c1ccccc1N(C)CCCN
InChIInChI=1S/C13H22N2/c1-11(2)12-7-4-5-8-13(12)15(3)10-6-9-14/h4-5,7-8,11H,6,9-10,14H2,1-3H3
InChIKeyNVXMVYYXUSATBC-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
CID 28795019
N,N-dibutyl-2-propan-2-ylaniline
CID 67779975
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 115318732
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine (CID 28772740) is N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine is CC(C)c1ccccc1N(C)CCCN.
What is the InChIKey of N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is NVXMVYYXUSATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)12-7-4-5-8-13(12)15(3)10-6-9-14/h4-5,7-8,11H,6,9-10,14H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine?
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 28772740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).