N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine

C23H45N — CID 166059865

IUPACN-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCCCCCC
InChIInChI=1S/C23H45N/c1-6-9-10-11-12-13-14-15-16-17-20-24-22(4)21-23(5,18-7-2)19-8-3/h7-8,22,24H,2-3,6,9-21H2,1,4-5H3
InChIKeyFPFPYZCEDSDUNY-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.43
Rot. Bonds18

About N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine

N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine (PubChem CID 166059865) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine.

Molecular Properties

Compound NameN-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine
PubChem CID166059865
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC NameN-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCCCCCC
InChIInChI=1S/C23H45N/c1-6-9-10-11-12-13-14-15-16-17-20-24-22(4)21-23(5,18-7-2)19-8-3/h7-8,22,24H,2-3,6,9-21H2,1,4-5H3
InChIKeyFPFPYZCEDSDUNY-UHFFFAOYSA-N
XLogP7.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine?
The IUPAC name of N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine (CID 166059865) is N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine.
What is the SMILES notation for N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine?
The canonical SMILES for N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine is C=CCC(C)(CC=C)CC(C)NCCCCCCCCCCCC.
What is the InChIKey of N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine?
The InChIKey is FPFPYZCEDSDUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-6-9-10-11-12-13-14-15-16-17-20-24-22(4)21-23(5,18-7-2)19-8-3/h7-8,22,24H,2-3,6,9-21H2,1,4-5H3.
What are the key properties of N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine?
N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine has a molecular weight of 335.62 g/mol, XLogP of 7.43, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-prop-2-enylhept-6-en-2-yl)dodecan-1-amine is sourced from PubChem (CID 166059865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).