(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C17H27N — CID 89352093

IUPAC(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(CN(C)C)C1=CCCCC1
InChIInChI=1S/C17H27N/c1-5-10-15(11-6-2)17(14-18(3)4)16-12-8-7-9-13-16/h5-6,10-12,17H,1,7-9,13-14H2,2-4H3/b11-6-,15-10+
InChIKeyDCYIYLUDNBRPKL-BQBRZILWSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds6

About (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 89352093) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID89352093
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(CN(C)C)C1=CCCCC1
InChIInChI=1S/C17H27N/c1-5-10-15(11-6-2)17(14-18(3)4)16-12-8-7-9-13-16/h5-6,10-12,17H,1,7-9,13-14H2,2-4H3/b11-6-,15-10+
InChIKeyDCYIYLUDNBRPKL-BQBRZILWSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 89352093) is (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C=C(\C=C/C)C(CN(C)C)C1=CCCCC1.
What is the InChIKey of (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is DCYIYLUDNBRPKL-BQBRZILWSA-N. The full InChI is InChI=1S/C17H27N/c1-5-10-15(11-6-2)17(14-18(3)4)16-12-8-7-9-13-16/h5-6,10-12,17H,1,7-9,13-14H2,2-4H3/b11-6-,15-10+.
What are the key properties of (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 89352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).