4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine

C11H16N2 — CID 13441752

IUPAC4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine
SMILESC/C=C/C(C)c1ccc(N)cc1N
InChIInChI=1S/C11H16N2/c1-3-4-8(2)10-6-5-9(12)7-11(10)13/h3-8H,12-13H2,1-2H3/b4-3+
InChIKeyPGEYCPOFLJFDQR-ONEGZZNKSA-N
MW176.26 g/mol
LogP2.53
Rot. Bonds2

About 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine

4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine (PubChem CID 13441752) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine
PubChem CID13441752
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine
SMILESC/C=C/C(C)c1ccc(N)cc1N
InChIInChI=1S/C11H16N2/c1-3-4-8(2)10-6-5-9(12)7-11(10)13/h3-8H,12-13H2,1-2H3/b4-3+
InChIKeyPGEYCPOFLJFDQR-ONEGZZNKSA-N
XLogP2.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methoxyethyl)benzene-1,3-diamine
CID 70601773
1-(2,4-diaminophenyl)-2-methoxy-3-methylbutan-1-ol
CID 163709207
4-(1-phenylpropyl)benzene-1,3-diamine
CID 19849951
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
2-(4-amino-2-iodophenyl)propanal
CID 134639886
2-[(E)-5-methylhex-3-en-2-yl]aniline
CID 14614112
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
CID 688047
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
CID 70518337
4-[(Z)-2-methylpent-3-enyl]aniline
CID 83928464
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
3-[(3Z,5Z)-hepta-3,5-dien-2-yl]aniline
CID 88997026
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine (CID 13441752) is 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine is C/C=C/C(C)c1ccc(N)cc1N.
What is the InChIKey of 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine?
The InChIKey is PGEYCPOFLJFDQR-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-8(2)10-6-5-9(12)7-11(10)13/h3-8H,12-13H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine?
4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine has a molecular weight of 176.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-3-en-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 13441752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).