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

C18H32N2O — CID 142906944

IUPACN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESC/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18/h3-6,16-19H,7-15H2,1-2H3/b4-3-,6-5-
InChIKeyNIQWJRLLRHFRLK-OUPQRBNQSA-N
MW292.47 g/mol
LogP2.99
Rot. Bonds6

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

N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 142906944) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID142906944
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESC/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18/h3-6,16-19H,7-15H2,1-2H3/b4-3-,6-5-
InChIKeyNIQWJRLLRHFRLK-OUPQRBNQSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine;1,1,1-trifluoroethane
CID 142906943
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321
N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
CID 144922631
3-N-(1-methylpiperidin-4-yl)-1-N-(oxan-4-yl)cyclohexa-1,3-diene-1,3-diamine
CID 173104684
N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378322

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine (CID 142906944) is N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine is C/C=C\C=C/C(C)CN(C1CCNCC1)C1CCOCC1.
What is the InChIKey of N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is NIQWJRLLRHFRLK-OUPQRBNQSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-4-5-6-16(2)15-20(17-7-11-19-12-8-17)18-9-13-21-14-10-18/h3-6,16-19H,7-15H2,1-2H3/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?
N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 292.47 g/mol, XLogP of 2.99, 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 is sourced from PubChem (CID 142906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).