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

C20H39N — CID 144654749

IUPACN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane
SMILESC=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H27N.2C2H6/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16;2*1-2/h5-8,14,16H,1,9-13H2,2-4H3;2*1-2H3/b8-6-,15-7+;;
InChIKeyWWZWNXCXBZXOKP-FGJBQHGQSA-N
MW293.54 g/mol
LogP6.24
Rot. Bonds5

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

N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane (PubChem CID 144654749) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane
PubChem CID144654749
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane
SMILESC=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H27N.2C2H6/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16;2*1-2/h5-8,14,16H,1,9-13H2,2-4H3;2*1-2H3/b8-6-,15-7+;;
InChIKeyWWZWNXCXBZXOKP-FGJBQHGQSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 177146039
CID 177146039
CID 258792
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CID 10420497
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CID 23295316
CID 23295316
CID 68341265
CID 68341265
CID 70230155
CID 70230155
CID 71070597
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CID 71277822
CID 71277822

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;ethane?
The IUPAC name of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane (CID 144654749) is N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane.
What is the SMILES notation for N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane?
The canonical SMILES for N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane is C=C/C=C(\C=C/C)CN(C)C1CCC(C)CC1.CC.CC.
What is the InChIKey of N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane?
The InChIKey is WWZWNXCXBZXOKP-FGJBQHGQSA-N. The full InChI is InChI=1S/C16H27N.2C2H6/c1-5-7-15(8-6-2)13-17(4)16-11-9-14(3)10-12-16;2*1-2/h5-8,14,16H,1,9-13H2,2-4H3;2*1-2H3/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;ethane?
N,4-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]cyclohexan-1-amine;ethane has a molecular weight of 293.54 g/mol, XLogP of 6.24, 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;ethane is sourced from PubChem (CID 144654749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).