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

C13H22N2 — CID 70570359

IUPACN'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNCCC(N)c1ccccc1C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)11-6-4-5-7-12(11)13(14)8-9-15-3/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyHHGUOTHDDNJFNI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds5

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

N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 70570359) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID70570359
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNCCC(N)c1ccccc1C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)11-6-4-5-7-12(11)13(14)8-9-15-3/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyHHGUOTHDDNJFNI-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55278414
1-(2-propan-2-ylphenyl)pentan-1-amine
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1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034
N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 20546207
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
2,6-dimethylheptane;2,5-dimethylhexane;2,4-dimethylpentane;1,2-di(propan-2-yl)benzene
CID 159875963
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine (CID 70570359) is N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine is CNCCC(N)c1ccccc1C(C)C.
What is the InChIKey of N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is HHGUOTHDDNJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)11-6-4-5-7-12(11)13(14)8-9-15-3/h4-7,10,13,15H,8-9,14H2,1-3H3.
What are the key properties of N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine?
N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 70570359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).