2-(4-methylpentan-2-yl)benzene-1,3-diamine

C12H20N2 — CID 68636836

IUPAC2-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESCC(C)CC(C)c1c(N)cccc1N
InChIInChI=1S/C12H20N2/c1-8(2)7-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7,13-14H2,1-3H3
InChIKeyIZYXXJWDNUVXTD-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-methylpentan-2-yl)benzene-1,3-diamine

2-(4-methylpentan-2-yl)benzene-1,3-diamine (PubChem CID 68636836) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)benzene-1,3-diamine
PubChem CID68636836
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESCC(C)CC(C)c1c(N)cccc1N
InChIInChI=1S/C12H20N2/c1-8(2)7-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7,13-14H2,1-3H3
InChIKeyIZYXXJWDNUVXTD-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpentan-2-yl)aniline
CID 15215881
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
3-methyl-2-(4-methylpentan-2-yloxy)aniline
CID 115550876
2-(1-chloroethyl)-3-methylaniline
CID 174895936
2,3-bis(1-chloroethyl)aniline
CID 23046773
2-[bis(methylsulfanyl)methyl]benzene-1,3-diamine
CID 22278031
3-ethoxy-2-propan-2-ylaniline
CID 154678316
1-(2-methylpropyl)benzotriazol-4-amine
CID 163567047
ethane;2-(3-methylbutyl)aniline
CID 143042088
3-tert-butyl-2-propan-2-ylaniline
CID 59734465
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The IUPAC name of 2-(4-methylpentan-2-yl)benzene-1,3-diamine (CID 68636836) is 2-(4-methylpentan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 2-(4-methylpentan-2-yl)benzene-1,3-diamine is CC(C)CC(C)c1c(N)cccc1N.
What is the InChIKey of 2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The InChIKey is IZYXXJWDNUVXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)7-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7,13-14H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-yl)benzene-1,3-diamine?
2-(4-methylpentan-2-yl)benzene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 68636836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).