(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine

C16H29N — CID 166985462

IUPAC(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-10-13(2)11-12-14(3)16(7,8)17(9)15(4,5)6/h10-12H,3H2,1-2,4-9H3/b12-11-,13-10-
InChIKeyCAAHJXNLCMCTEO-RBPRBBOISA-N
MW235.41 g/mol
LogP4.57
Rot. Bonds4

About (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine

(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine (PubChem CID 166985462) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
PubChem CID166985462
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-10-13(2)11-12-14(3)16(7,8)17(9)15(4,5)6/h10-12H,3H2,1-2,4-9H3/b12-11-,13-10-
InChIKeyCAAHJXNLCMCTEO-RBPRBBOISA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine?
The IUPAC name of (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine (CID 166985462) is (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine.
What is the SMILES notation for (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine?
The canonical SMILES for (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine is C=C(/C=C\C(C)=C/C)C(C)(C)N(C)C(C)(C)C.
What is the InChIKey of (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine?
The InChIKey is CAAHJXNLCMCTEO-RBPRBBOISA-N. The full InChI is InChI=1S/C16H29N/c1-10-13(2)11-12-14(3)16(7,8)17(9)15(4,5)6/h10-12H,3H2,1-2,4-9H3/b12-11-,13-10-.
What are the key properties of (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine?
(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 166985462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).