4,4-dimethyltricos-1-en-3-amine

C25H51N — CID 175148095

IUPAC4,4-dimethyltricos-1-en-3-amine
SMILESC=CC(N)C(C)(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H51N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(3,4)24(26)6-2/h6,24H,2,5,7-23,26H2,1,3-4H3
InChIKeyDJBGXNVHUWDCRH-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.57
Rot. Bonds20

About 4,4-dimethyltricos-1-en-3-amine

4,4-dimethyltricos-1-en-3-amine (PubChem CID 175148095) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is 4,4-dimethyltricos-1-en-3-amine.

Molecular Properties

Compound Name4,4-dimethyltricos-1-en-3-amine
PubChem CID175148095
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name4,4-dimethyltricos-1-en-3-amine
SMILESC=CC(N)C(C)(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H51N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(3,4)24(26)6-2/h6,24H,2,5,7-23,26H2,1,3-4H3
InChIKeyDJBGXNVHUWDCRH-UHFFFAOYSA-N
XLogP8.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.57
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

4,4-dimethylhenicos-1-en-3-amine;hydrobromide
CID 175140594
4,4-dimethylnonadec-1-en-3-amine;hydrochloride
CID 174996195
4,4-dimethylpentadec-1-en-3-amine;hydrochloride
CID 175151339
2,3,3-trimethyloctadecane
CID 90966938
1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride
CID 173016471
3,3-dimethylnonan-2-ol
CID 19931299
11-(2-methylheptan-2-yl)docosane
CID 57252514
3,3-dimethyldecan-2-ol
CID 87975868
ethane;2,3,3-trimethyloctane
CID 142049944
ethenol;heptadecane
CID 158851930
3-ethoxy-3-methyldodec-1-ene
CID 160659750
4,4-dimethylhexadecan-3-ol
CID 168719984

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyltricos-1-en-3-amine?
The IUPAC name of 4,4-dimethyltricos-1-en-3-amine (CID 175148095) is 4,4-dimethyltricos-1-en-3-amine.
What is the SMILES notation for 4,4-dimethyltricos-1-en-3-amine?
The canonical SMILES for 4,4-dimethyltricos-1-en-3-amine is C=CC(N)C(C)(C)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 4,4-dimethyltricos-1-en-3-amine?
The InChIKey is DJBGXNVHUWDCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(3,4)24(26)6-2/h6,24H,2,5,7-23,26H2,1,3-4H3.
What are the key properties of 4,4-dimethyltricos-1-en-3-amine?
4,4-dimethyltricos-1-en-3-amine has a molecular weight of 365.69 g/mol, XLogP of 8.57, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyltricos-1-en-3-amine is sourced from PubChem (CID 175148095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).