(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine

C21H38N2 — CID 166996568

IUPAC(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine
SMILESC/C=C(\C=C/C(C)=N/C(=C\C)C(C)(C)C)CCCNC(C)(C)C
InChIInChI=1S/C21H38N2/c1-10-18(13-12-16-22-21(7,8)9)15-14-17(3)23-19(11-2)20(4,5)6/h10-11,14-15,22H,12-13,16H2,1-9H3/b15-14-,18-10-,19-11-,23-17+
InChIKeyRXEXOVUCEHQLDA-HWCJGYSLSA-N
MW318.55 g/mol
LogP6.07
Rot. Bonds7

About (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine

(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine (PubChem CID 166996568) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine.

Molecular Properties

Compound Name(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine
PubChem CID166996568
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine
SMILESC/C=C(\C=C/C(C)=N/C(=C\C)C(C)(C)C)CCCNC(C)(C)C
InChIInChI=1S/C21H38N2/c1-10-18(13-12-16-22-21(7,8)9)15-14-17(3)23-19(11-2)20(4,5)6/h10-11,14-15,22H,12-13,16H2,1-9H3/b15-14-,18-10-,19-11-,23-17+
InChIKeyRXEXOVUCEHQLDA-HWCJGYSLSA-N
XLogP6.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine?
The IUPAC name of (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine (CID 166996568) is (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine.
What is the SMILES notation for (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine?
The canonical SMILES for (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine is C/C=C(\C=C/C(C)=N/C(=C\C)C(C)(C)C)CCCNC(C)(C)C.
What is the InChIKey of (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine?
The InChIKey is RXEXOVUCEHQLDA-HWCJGYSLSA-N. The full InChI is InChI=1S/C21H38N2/c1-10-18(13-12-16-22-21(7,8)9)15-14-17(3)23-19(11-2)20(4,5)6/h10-11,14-15,22H,12-13,16H2,1-9H3/b15-14-,18-10-,19-11-,23-17+.
What are the key properties of (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine?
(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine has a molecular weight of 318.55 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine is sourced from PubChem (CID 166996568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).