(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

C17H29N — CID 155001650

IUPAC(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)N[C@H](C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12(2)13(3)10-11-14(4)15(5)18-16(6)17(7,8)9/h10-11,16,18H,4-5H2,1-3,6-9H3/b11-10-/t16-/m1/s1
InChIKeyYPFMJXAPUABGGZ-BLIJAFNYSA-N
MW247.43 g/mol
LogP4.99
Rot. Bonds5

About (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (PubChem CID 155001650) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
PubChem CID155001650
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)N[C@H](C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12(2)13(3)10-11-14(4)15(5)18-16(6)17(7,8)9/h10-11,16,18H,4-5H2,1-3,6-9H3/b11-10-/t16-/m1/s1
InChIKeyYPFMJXAPUABGGZ-BLIJAFNYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
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)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (CID 155001650) is (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is C=C(/C=C\C(C)=C(C)C)C(=C)N[C@H](C)C(C)(C)C.
What is the InChIKey of (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The InChIKey is YPFMJXAPUABGGZ-BLIJAFNYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)13(3)10-11-14(4)15(5)18-16(6)17(7,8)9/h10-11,16,18H,4-5H2,1-3,6-9H3/b11-10-/t16-/m1/s1.
What are the key properties of (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
(4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is sourced from PubChem (CID 155001650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).