N,N-dimethyltricos-13-en-10-amine

C25H51N — CID 170848024

IUPACN,N-dimethyltricos-13-en-10-amine
SMILESCCCCCCCCCC=CCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C25H51N/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(26(3)4)23-21-19-17-12-10-8-6-2/h18,20,25H,5-17,19,21-24H2,1-4H3
InChIKeyOHUSUCKWDNBPFN-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.53
Rot. Bonds20

About N,N-dimethyltricos-13-en-10-amine

N,N-dimethyltricos-13-en-10-amine (PubChem CID 170848024) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is N,N-dimethyltricos-13-en-10-amine.

Molecular Properties

Compound NameN,N-dimethyltricos-13-en-10-amine
PubChem CID170848024
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC NameN,N-dimethyltricos-13-en-10-amine
SMILESCCCCCCCCCC=CCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C25H51N/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(26(3)4)23-21-19-17-12-10-8-6-2/h18,20,25H,5-17,19,21-24H2,1-4H3
InChIKeyOHUSUCKWDNBPFN-UHFFFAOYSA-N
XLogP8.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.53
H-Bond Donors ≤ 50
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,N-dimethyltricos-13-en-10-amine?
The IUPAC name of N,N-dimethyltricos-13-en-10-amine (CID 170848024) is N,N-dimethyltricos-13-en-10-amine.
What is the SMILES notation for N,N-dimethyltricos-13-en-10-amine?
The canonical SMILES for N,N-dimethyltricos-13-en-10-amine is CCCCCCCCCC=CCCC(CCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyltricos-13-en-10-amine?
The InChIKey is OHUSUCKWDNBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(26(3)4)23-21-19-17-12-10-8-6-2/h18,20,25H,5-17,19,21-24H2,1-4H3.
What are the key properties of N,N-dimethyltricos-13-en-10-amine?
N,N-dimethyltricos-13-en-10-amine has a molecular weight of 365.69 g/mol, XLogP of 8.53, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltricos-13-en-10-amine is sourced from PubChem (CID 170848024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).