(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine

C21H39N — CID 145235220

IUPAC(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C21H39N/c1-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22(8)9/h14-19H,6-7,10-13H2,1-5,8-9H3/b15-14-
InChIKeyBHLYWTJPVYAOLF-PFONDFGASA-N
MW305.55 g/mol
LogP6.30
Rot. Bonds11

About (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine

(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine (PubChem CID 145235220) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine
PubChem CID145235220
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C21H39N/c1-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22(8)9/h14-19H,6-7,10-13H2,1-5,8-9H3/b15-14-
InChIKeyBHLYWTJPVYAOLF-PFONDFGASA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.30
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 (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine (CID 145235220) is (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine is C=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)C.
What is the InChIKey of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine?
The InChIKey is BHLYWTJPVYAOLF-PFONDFGASA-N. The full InChI is InChI=1S/C21H39N/c1-16(2)10-11-17(3)18(4)12-13-19(5)20(6)14-15-21(7)22(8)9/h14-19H,6-7,10-13H2,1-5,8-9H3/b15-14-.
What are the key properties of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine?
(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine has a molecular weight of 305.55 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine is sourced from PubChem (CID 145235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).