2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine

C20H37N — CID 88928002

IUPAC2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine
SMILESC=CCN(CC(C)C(C)(C)CCC=C(C)C)C(=C)C(C)C
InChIInChI=1S/C20H37N/c1-10-14-21(19(7)17(4)5)15-18(6)20(8,9)13-11-12-16(2)3/h10,12,17-18H,1,7,11,13-15H2,2-6,8-9H3
InChIKeyZKIVPEJGYVTPKC-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.05
Rot. Bonds10

About 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine

2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine (PubChem CID 88928002) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine.

Molecular Properties

Compound Name2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine
PubChem CID88928002
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine
SMILESC=CCN(CC(C)C(C)(C)CCC=C(C)C)C(=C)C(C)C
InChIInChI=1S/C20H37N/c1-10-14-21(19(7)17(4)5)15-18(6)20(8,9)13-11-12-16(2)3/h10,12,17-18H,1,7,11,13-15H2,2-6,8-9H3
InChIKeyZKIVPEJGYVTPKC-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine?
The IUPAC name of 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine (CID 88928002) is 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine.
What is the SMILES notation for 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine?
The canonical SMILES for 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine is C=CCN(CC(C)C(C)(C)CCC=C(C)C)C(=C)C(C)C.
What is the InChIKey of 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine?
The InChIKey is ZKIVPEJGYVTPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-10-14-21(19(7)17(4)5)15-18(6)20(8,9)13-11-12-16(2)3/h10,12,17-18H,1,7,11,13-15H2,2-6,8-9H3.
What are the key properties of 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine?
2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine has a molecular weight of 291.52 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine is sourced from PubChem (CID 88928002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).