2-methyltricosan-1-amine

C24H51N — CID 87547792

IUPAC2-methyltricosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C24H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-25/h24H,3-23,25H2,1-2H3
InChIKeyCJMHVSPFJJSPNB-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.40
Rot. Bonds21

About 2-methyltricosan-1-amine

2-methyltricosan-1-amine (PubChem CID 87547792) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-methyltricosan-1-amine.

Molecular Properties

Compound Name2-methyltricosan-1-amine
PubChem CID87547792
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name2-methyltricosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C24H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-25/h24H,3-23,25H2,1-2H3
InChIKeyCJMHVSPFJJSPNB-UHFFFAOYSA-N
XLogP8.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylnonan-1-amine
CID 21396878
2-methyloctadecan-1-amine
CID 56980469
2,4-dimethylnonan-1-amine
CID 123882027
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of 2-methyltricosan-1-amine?
The IUPAC name of 2-methyltricosan-1-amine (CID 87547792) is 2-methyltricosan-1-amine.
What is the SMILES notation for 2-methyltricosan-1-amine?
The canonical SMILES for 2-methyltricosan-1-amine is CCCCCCCCCCCCCCCCCCCCCC(C)CN.
What is the InChIKey of 2-methyltricosan-1-amine?
The InChIKey is CJMHVSPFJJSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-25/h24H,3-23,25H2,1-2H3.
What are the key properties of 2-methyltricosan-1-amine?
2-methyltricosan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.40, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricosan-1-amine is sourced from PubChem (CID 87547792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).