(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine

C19H24IN — CID 130380264

IUPAC(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)C1CC=C(CN(I)C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24IN/c1-16(2)19-12-10-18(11-13-19)15-21(20)14-6-9-17-7-4-3-5-8-17/h3-10,19H,1,11-15H2,2H3/b9-6+
InChIKeyUTJNZSYUDDKBOX-RMKNXTFCSA-N
MW393.31 g/mol
LogP5.65
Rot. Bonds6

About (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine

(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine (PubChem CID 130380264) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine
PubChem CID130380264
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC Name(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)C1CC=C(CN(I)C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24IN/c1-16(2)19-12-10-18(11-13-19)15-21(20)14-6-9-17-7-4-3-5-8-17/h3-10,19H,1,11-15H2,2H3/b9-6+
InChIKeyUTJNZSYUDDKBOX-RMKNXTFCSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine;hydrochloride
CID 52993562
N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide
CID 42701749
(E)-N-(2-methylpropyl)-3-(4-nitrophenyl)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-enamide
CID 42701751
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
CID 71343459
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782854
2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
CID 141352252
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl nitrite
CID 162522511
methyl (2S)-3-(dibenzylamino)-2-phenyl-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]propanoate
CID 138964508
2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
CID 174815775
2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
CID 102248268

Frequently Asked Questions

What is the IUPAC name of (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine (CID 130380264) is (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine is C=C(C)C1CC=C(CN(I)C/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is UTJNZSYUDDKBOX-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H24IN/c1-16(2)19-12-10-18(11-13-19)15-21(20)14-6-9-17-7-4-3-5-8-17/h3-10,19H,1,11-15H2,2H3/b9-6+.
What are the key properties of (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 393.31 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 130380264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).