3-dodecylcyclopent-2-en-1-amine

C17H33N — CID 65174520

IUPAC3-dodecylcyclopent-2-en-1-amine
SMILESCCCCCCCCCCCCC1=CC(N)CC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(18)15-16/h15,17H,2-14,18H2,1H3
InChIKeyGDFZLVQLJJYBRZ-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.34
Rot. Bonds11

About 3-dodecylcyclopent-2-en-1-amine

3-dodecylcyclopent-2-en-1-amine (PubChem CID 65174520) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-dodecylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-dodecylcyclopent-2-en-1-amine
PubChem CID65174520
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-dodecylcyclopent-2-en-1-amine
SMILESCCCCCCCCCCCCC1=CC(N)CC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(18)15-16/h15,17H,2-14,18H2,1H3
InChIKeyGDFZLVQLJJYBRZ-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.34
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

3-decylcyclopent-2-en-1-amine
CID 65174759
3-pentylcyclopent-2-en-1-amine
CID 65174875
3-chloro-1-octylcycloheptene
CID 107383725
3-butylcyclopent-2-en-1-ol
CID 65174589
3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine
CID 130791836
1-hexylcyclobutene
CID 86205685
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
(3-hexylcyclohex-2-en-1-yl)benzene
CID 100958783
ethyl (2Z)-3-octylcyclooct-2-ene-1-carboxylate
CID 134916587
1-nonyl-4-prop-2-enylcyclohexene
CID 175939867
1-pentylcyclopropene
CID 159067584

Frequently Asked Questions

What is the IUPAC name of 3-dodecylcyclopent-2-en-1-amine?
The IUPAC name of 3-dodecylcyclopent-2-en-1-amine (CID 65174520) is 3-dodecylcyclopent-2-en-1-amine.
What is the SMILES notation for 3-dodecylcyclopent-2-en-1-amine?
The canonical SMILES for 3-dodecylcyclopent-2-en-1-amine is CCCCCCCCCCCCC1=CC(N)CC1.
What is the InChIKey of 3-dodecylcyclopent-2-en-1-amine?
The InChIKey is GDFZLVQLJJYBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(18)15-16/h15,17H,2-14,18H2,1H3.
What are the key properties of 3-dodecylcyclopent-2-en-1-amine?
3-dodecylcyclopent-2-en-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylcyclopent-2-en-1-amine is sourced from PubChem (CID 65174520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).