N,N-dimethyltetradec-1-en-5-amine

C16H33N — CID 170848019

IUPACN,N-dimethyltetradec-1-en-5-amine
SMILESC=CCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-16(17(3)4)14-8-6-2/h6,16H,2,5,7-15H2,1,3-4H3
InChIKeyPLDKXQYGGBXMFL-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.02
Rot. Bonds12

About N,N-dimethyltetradec-1-en-5-amine

N,N-dimethyltetradec-1-en-5-amine (PubChem CID 170848019) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,N-dimethyltetradec-1-en-5-amine.

Molecular Properties

Compound NameN,N-dimethyltetradec-1-en-5-amine
PubChem CID170848019
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,N-dimethyltetradec-1-en-5-amine
SMILESC=CCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-16(17(3)4)14-8-6-2/h6,16H,2,5,7-15H2,1,3-4H3
InChIKeyPLDKXQYGGBXMFL-UHFFFAOYSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.02
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-dimethyltetradec-1-en-5-amine?
The IUPAC name of N,N-dimethyltetradec-1-en-5-amine (CID 170848019) is N,N-dimethyltetradec-1-en-5-amine.
What is the SMILES notation for N,N-dimethyltetradec-1-en-5-amine?
The canonical SMILES for N,N-dimethyltetradec-1-en-5-amine is C=CCCC(CCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyltetradec-1-en-5-amine?
The InChIKey is PLDKXQYGGBXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-9-10-11-12-13-15-16(17(3)4)14-8-6-2/h6,16H,2,5,7-15H2,1,3-4H3.
What are the key properties of N,N-dimethyltetradec-1-en-5-amine?
N,N-dimethyltetradec-1-en-5-amine has a molecular weight of 239.45 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetradec-1-en-5-amine is sourced from PubChem (CID 170848019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).