6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride

C15H22ClNO2 — CID 19066595

IUPAC6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
SMILESCl.NCCCCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2.ClH/c16-12-6-1-2-7-13-18-15(17)11-10-14-8-4-3-5-9-14;/h3-5,8-11H,1-2,6-7,12-13,16H2;1H/b11-10+;
InChIKeyFYXJZRRPHOIJAA-ASTDGNLGSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds8

About 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride

6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride (PubChem CID 19066595) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
PubChem CID19066595
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
SMILESCl.NCCCCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO2.ClH/c16-12-6-1-2-7-13-18-15(17)11-10-14-8-4-3-5-9-14;/h3-5,8-11H,1-2,6-7,12-13,16H2;1H/b11-10+;
InChIKeyFYXJZRRPHOIJAA-ASTDGNLGSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504
7-cyclopropylheptyl (E)-3-phenylprop-2-enoate
CID 21445840
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812
4-[8-(3-phenylprop-2-enoyloxy)octoxycarbonyl]cyclohexane-1-carboxylic acid
CID 121346814
3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride?
The IUPAC name of 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride (CID 19066595) is 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride.
What is the SMILES notation for 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride?
The canonical SMILES for 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride is Cl.NCCCCCCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride?
The InChIKey is FYXJZRRPHOIJAA-ASTDGNLGSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c16-12-6-1-2-7-13-18-15(17)11-10-14-8-4-3-5-9-14;/h3-5,8-11H,1-2,6-7,12-13,16H2;1H/b11-10+;.
What are the key properties of 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride?
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride is sourced from PubChem (CID 19066595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).