(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine

C19H34N2 — CID 89355300

IUPAC(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-6-17(2)10-11-18(19(3,4)5)16-20-12-15-21-13-8-7-9-14-21/h6,10-11,20H,1,7-9,12-16H2,2-5H3/b17-10-,18-11+
InChIKeyDHFWXUXPEDVPSH-ICFDZUSXSA-N
MW290.50 g/mol
LogP4.17
Rot. Bonds7

About (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine

(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine (PubChem CID 89355300) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine
PubChem CID89355300
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-6-17(2)10-11-18(19(3,4)5)16-20-12-15-21-13-8-7-9-14-21/h6,10-11,20H,1,7-9,12-16H2,2-5H3/b17-10-,18-11+
InChIKeyDHFWXUXPEDVPSH-ICFDZUSXSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine (CID 89355300) is (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/CNCCN1CCCCC1)C(C)(C)C.
What is the InChIKey of (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine?
The InChIKey is DHFWXUXPEDVPSH-ICFDZUSXSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-17(2)10-11-18(19(3,4)5)16-20-12-15-21-13-8-7-9-14-21/h6,10-11,20H,1,7-9,12-16H2,2-5H3/b17-10-,18-11+.
What are the key properties of (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine?
(2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 89355300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).