N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine

C16H27N — CID 130459549

IUPACN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine
SMILESC=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H27N/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16/h5-8,14,16H,1,9-13H2,2-4H3/b8-6-,15-7+
InChIKeyULZRTQSWDWZXBQ-XXFHCLJSSA-N
MW233.40 g/mol
LogP4.19
Rot. Bonds5

About N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine

N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine (PubChem CID 130459549) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine
PubChem CID130459549
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine
SMILESC=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H27N/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16/h5-8,14,16H,1,9-13H2,2-4H3/b8-6-,15-7+
InChIKeyULZRTQSWDWZXBQ-XXFHCLJSSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine (CID 130459549) is N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine is C=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine?
The InChIKey is ULZRTQSWDWZXBQ-XXFHCLJSSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16/h5-8,14,16H,1,9-13H2,2-4H3/b8-6-,15-7+.
What are the key properties of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine?
N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine is sourced from PubChem (CID 130459549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).