N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine

C17H30N2 — CID 116945869

IUPACN'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-12(2)10-14-6-8-15(9-7-14)17(18)16(11-19-5)13(3)4/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3
InChIKeyMXGTYUDHQYDVQI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.38
Rot. Bonds7

About N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine

N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945869) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945869
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-12(2)10-14-6-8-15(9-7-14)17(18)16(11-19-5)13(3)4/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3
InChIKeyMXGTYUDHQYDVQI-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945849
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(1,3-benzodioxol-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945872
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine (CID 116945869) is N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MXGTYUDHQYDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)10-14-6-8-15(9-7-14)17(18)16(11-19-5)13(3)4/h6-9,12-13,16-17,19H,10-11,18H2,1-5H3.
What are the key properties of N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).