(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine

C16H28N2 — CID 146340567

IUPAC(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine
SMILESC=C/C=C\C=C(/C)CCN(C)CC1CCNCC1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-15(2)10-13-18(3)14-16-8-11-17-12-9-16/h4-7,16-17H,1,8-14H2,2-3H3/b6-5-,15-7+
InChIKeyWTDYOEJLMWNIGC-LPWWCAIVSA-N
MW248.41 g/mol
LogP3.00
Rot. Bonds7

About (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine

(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine (PubChem CID 146340567) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine
PubChem CID146340567
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine
SMILESC=C/C=C\C=C(/C)CCN(C)CC1CCNCC1
InChIInChI=1S/C16H28N2/c1-4-5-6-7-15(2)10-13-18(3)14-16-8-11-17-12-9-16/h4-7,16-17H,1,8-14H2,2-3H3/b6-5-,15-7+
InChIKeyWTDYOEJLMWNIGC-LPWWCAIVSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine?
The IUPAC name of (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine (CID 146340567) is (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine is C=C/C=C\C=C(/C)CCN(C)CC1CCNCC1.
What is the InChIKey of (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine?
The InChIKey is WTDYOEJLMWNIGC-LPWWCAIVSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-6-7-15(2)10-13-18(3)14-16-8-11-17-12-9-16/h4-7,16-17H,1,8-14H2,2-3H3/b6-5-,15-7+.
What are the key properties of (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine?
(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine is sourced from PubChem (CID 146340567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).