azane;3,4-dipropylbenzene-1,2-diamine

C12H23N3 — CID 22352094

IUPACazane;3,4-dipropylbenzene-1,2-diamine
SMILESCCCc1ccc(N)c(N)c1CCC.N
InChIInChI=1S/C12H20N2.H3N/c1-3-5-9-7-8-11(13)12(14)10(9)6-4-2;/h7-8H,3-6,13-14H2,1-2H3;1H3
InChIKeyQAPDHVLIXJCHSB-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.92
Rot. Bonds4

About azane;3,4-dipropylbenzene-1,2-diamine

azane;3,4-dipropylbenzene-1,2-diamine (PubChem CID 22352094) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is azane;3,4-dipropylbenzene-1,2-diamine.

Molecular Properties

Compound Nameazane;3,4-dipropylbenzene-1,2-diamine
PubChem CID22352094
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameazane;3,4-dipropylbenzene-1,2-diamine
SMILESCCCc1ccc(N)c(N)c1CCC.N
InChIInChI=1S/C12H20N2.H3N/c1-3-5-9-7-8-11(13)12(14)10(9)6-4-2;/h7-8H,3-6,13-14H2,1-2H3;1H3
InChIKeyQAPDHVLIXJCHSB-UHFFFAOYSA-N
XLogP2.92
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibutylbenzene-1,2-diamine
CID 18764845
2-methyl-3,4-dipropylaniline
CID 70515438
2-amino-3,6-dipropylphenol
CID 134347282
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
CID 155697680
2-(2,3-dipropylphenyl)aniline
CID 150874866
4-fluoro-3-pentylbenzene-1,2-diamine
CID 66930645
4-fluoro-2-propylaniline
CID 23348947
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
4-chloro-2-propylaniline
CID 23348961
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
2-(4-amino-2-hydroxy-3-propylphenyl)acetaldehyde
CID 54099137

Frequently Asked Questions

What is the IUPAC name of azane;3,4-dipropylbenzene-1,2-diamine?
The IUPAC name of azane;3,4-dipropylbenzene-1,2-diamine (CID 22352094) is azane;3,4-dipropylbenzene-1,2-diamine.
What is the SMILES notation for azane;3,4-dipropylbenzene-1,2-diamine?
The canonical SMILES for azane;3,4-dipropylbenzene-1,2-diamine is CCCc1ccc(N)c(N)c1CCC.N.
What is the InChIKey of azane;3,4-dipropylbenzene-1,2-diamine?
The InChIKey is QAPDHVLIXJCHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.H3N/c1-3-5-9-7-8-11(13)12(14)10(9)6-4-2;/h7-8H,3-6,13-14H2,1-2H3;1H3.
What are the key properties of azane;3,4-dipropylbenzene-1,2-diamine?
azane;3,4-dipropylbenzene-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-dipropylbenzene-1,2-diamine is sourced from PubChem (CID 22352094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).