N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane

C20H35F3N2O — CID 142906943

IUPACN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane
SMILESC/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1.CC(F)(F)F
InChIInChI=1S/C18H32N2O.C2H3F3/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18;1-2(3,4)5/h3-6,16-19H,7-15H2,1-2H3;1H3/b4-3-,6-5-;
InChIKeyPLSTVVDTNIJYIQ-LMOCLWJBSA-N
MW376.51 g/mol
LogP4.56
Rot. Bonds6

About N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane

N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane (PubChem CID 142906943) has the molecular formula C20H35F3N2O and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane.

Molecular Properties

Compound NameN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane
PubChem CID142906943
Molecular FormulaC20H35F3N2O
Molecular Weight376.51 g/mol
Exact Mass376.27
IUPAC NameN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane
SMILESC/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1.CC(F)(F)F
InChIInChI=1S/C18H32N2O.C2H3F3/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18;1-2(3,4)5/h3-6,16-19H,7-15H2,1-2H3;1H3/b4-3-,6-5-;
InChIKeyPLSTVVDTNIJYIQ-LMOCLWJBSA-N
XLogP4.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-difluoro-N-methylhexan-3-amine;N-[2-[(2E,4Z,6E)-octa-2,4,6-trien-3-yl]cyclopropyl]oxan-4-amine
CID 144605354
N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine
CID 142906944

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane?
The IUPAC name of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane (CID 142906943) is N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane.
What is the SMILES notation for N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane?
The canonical SMILES for N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane is C/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1.CC(F)(F)F.
What is the InChIKey of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane?
The InChIKey is PLSTVVDTNIJYIQ-LMOCLWJBSA-N. The full InChI is InChI=1S/C18H32N2O.C2H3F3/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18;1-2(3,4)5/h3-6,16-19H,7-15H2,1-2H3;1H3/b4-3-,6-5-;.
What are the key properties of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane?
N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane has a molecular weight of 376.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane is sourced from PubChem (CID 142906943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).