2-methyl-3-methylidenehenicosan-2-amine

C23H47N — CID 118467610

IUPAC2-methyl-3-methylidenehenicosan-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(C)(C)N
InChIInChI=1S/C23H47N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3,4)24/h2,5-21,24H2,1,3-4H3
InChIKeyFQPGHHSQLYRBPS-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.93
Rot. Bonds18

About 2-methyl-3-methylidenehenicosan-2-amine

2-methyl-3-methylidenehenicosan-2-amine (PubChem CID 118467610) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 2-methyl-3-methylidenehenicosan-2-amine.

Molecular Properties

Compound Name2-methyl-3-methylidenehenicosan-2-amine
PubChem CID118467610
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name2-methyl-3-methylidenehenicosan-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(C)(C)N
InChIInChI=1S/C23H47N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3,4)24/h2,5-21,24H2,1,3-4H3
InChIKeyFQPGHHSQLYRBPS-UHFFFAOYSA-N
XLogP7.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.93
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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Related Compounds

2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
CID 132603530
9,10-dimethyl-11-methylidene-10-octylnonadecane
CID 10916798
2-methyltetradec-1-ene
CID 521375
19-methylideneheptatriacontane;titanium
CID 174477367
heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
ethane;hept-1-en-2-amine
CID 143133065
4-methylidenenonadecane
CID 139983203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidenehenicosan-2-amine?
The IUPAC name of 2-methyl-3-methylidenehenicosan-2-amine (CID 118467610) is 2-methyl-3-methylidenehenicosan-2-amine.
What is the SMILES notation for 2-methyl-3-methylidenehenicosan-2-amine?
The canonical SMILES for 2-methyl-3-methylidenehenicosan-2-amine is C=C(CCCCCCCCCCCCCCCCCC)C(C)(C)N.
What is the InChIKey of 2-methyl-3-methylidenehenicosan-2-amine?
The InChIKey is FQPGHHSQLYRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3,4)24/h2,5-21,24H2,1,3-4H3.
What are the key properties of 2-methyl-3-methylidenehenicosan-2-amine?
2-methyl-3-methylidenehenicosan-2-amine has a molecular weight of 337.64 g/mol, XLogP of 7.93, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidenehenicosan-2-amine is sourced from PubChem (CID 118467610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).