N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine

C19H37N — CID 88928144

IUPACN-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine
SMILESC=CCN(CCCC)CC(C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C19H37N/c1-8-10-15-20(14-9-2)16-18(5)19(6,7)13-11-12-17(3)4/h9,12,18H,2,8,10-11,13-16H2,1,3-7H3
InChIKeyXPXRNRRJYPRZJL-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.68
Rot. Bonds11

About N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine

N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine (PubChem CID 88928144) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine.

Molecular Properties

Compound NameN-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine
PubChem CID88928144
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine
SMILESC=CCN(CCCC)CC(C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C19H37N/c1-8-10-15-20(14-9-2)16-18(5)19(6,7)13-11-12-17(3)4/h9,12,18H,2,8,10-11,13-16H2,1,3-7H3
InChIKeyXPXRNRRJYPRZJL-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.68
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 N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine?
The IUPAC name of N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine (CID 88928144) is N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine.
What is the SMILES notation for N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine?
The canonical SMILES for N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine is C=CCN(CCCC)CC(C)C(C)(C)CCC=C(C)C.
What is the InChIKey of N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine?
The InChIKey is XPXRNRRJYPRZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-8-10-15-20(14-9-2)16-18(5)19(6,7)13-11-12-17(3)4/h9,12,18H,2,8,10-11,13-16H2,1,3-7H3.
What are the key properties of N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine?
N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,3,7-tetramethyl-N-prop-2-enyloct-6-en-1-amine is sourced from PubChem (CID 88928144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).