2-N-oct-1-en-2-ylbenzene-1,2-diamine

C14H22N2 — CID 145023229

IUPAC2-N-oct-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(CCCCCC)Nc1ccccc1N
InChIInChI=1S/C14H22N2/c1-3-4-5-6-9-12(2)16-14-11-8-7-10-13(14)15/h7-8,10-11,16H,2-6,9,15H2,1H3
InChIKeyAGAKSFAGDZWERP-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.16
Rot. Bonds7

About 2-N-oct-1-en-2-ylbenzene-1,2-diamine

2-N-oct-1-en-2-ylbenzene-1,2-diamine (PubChem CID 145023229) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-oct-1-en-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-oct-1-en-2-ylbenzene-1,2-diamine
PubChem CID145023229
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-oct-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(CCCCCC)Nc1ccccc1N
InChIInChI=1S/C14H22N2/c1-3-4-5-6-9-12(2)16-14-11-8-7-10-13(14)15/h7-8,10-11,16H,2-6,9,15H2,1H3
InChIKeyAGAKSFAGDZWERP-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68839220
1-(2-aminophenyl)-3-nonylurea
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benzene-1,2-diamine;decan-1-amine
CID 174921659
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1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-amino-4-bromophenyl)nonanamide
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CID 119422754

Frequently Asked Questions

What is the IUPAC name of 2-N-oct-1-en-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-oct-1-en-2-ylbenzene-1,2-diamine (CID 145023229) is 2-N-oct-1-en-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-oct-1-en-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-oct-1-en-2-ylbenzene-1,2-diamine is C=C(CCCCCC)Nc1ccccc1N.
What is the InChIKey of 2-N-oct-1-en-2-ylbenzene-1,2-diamine?
The InChIKey is AGAKSFAGDZWERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-5-6-9-12(2)16-14-11-8-7-10-13(14)15/h7-8,10-11,16H,2-6,9,15H2,1H3.
What are the key properties of 2-N-oct-1-en-2-ylbenzene-1,2-diamine?
2-N-oct-1-en-2-ylbenzene-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-oct-1-en-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 145023229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).