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

C25H49N — CID 142282282

IUPAC(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C22H41N.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b16-15-;
InChIKeyWZMYUMZATLLRPC-YFKNTREVSA-N
MW363.67 g/mol
LogP8.11
Rot. Bonds12

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

(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (PubChem CID 142282282) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.

Molecular Properties

Compound Name(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
PubChem CID142282282
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C22H41N.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b16-15-;
InChIKeyWZMYUMZATLLRPC-YFKNTREVSA-N
XLogP8.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.11
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-methylidenepentadeca-1,3-dien-2-amine;propane?
The IUPAC name of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (CID 142282282) is (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.
What is the SMILES notation for (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The canonical SMILES for (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is C=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.
What is the InChIKey of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The InChIKey is WZMYUMZATLLRPC-YFKNTREVSA-N. The full InChI is InChI=1S/C22H41N.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3H2,1-2H3/b16-15-;.
What are the key properties of (3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane has a molecular weight of 363.67 g/mol, XLogP of 8.11, 12 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-methylidenepentadeca-1,3-dien-2-amine;propane is sourced from PubChem (CID 142282282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).