cyclododecen-1-ylmethanamine

C13H25N — CID 70571219

IUPACcyclododecen-1-ylmethanamine
SMILESNCC1=CCCCCCCCCCC1
InChIInChI=1S/C13H25N/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10H,1-9,11-12,14H2
InChIKeyGQTDRYXHYGMFEM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.79
Rot. Bonds1

About cyclododecen-1-ylmethanamine

cyclododecen-1-ylmethanamine (PubChem CID 70571219) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is cyclododecen-1-ylmethanamine.

Molecular Properties

Compound Namecyclododecen-1-ylmethanamine
PubChem CID70571219
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namecyclododecen-1-ylmethanamine
SMILESNCC1=CCCCCCCCCCC1
InChIInChI=1S/C13H25N/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10H,1-9,11-12,14H2
InChIKeyGQTDRYXHYGMFEM-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
cyclododecen-1-ylmethanol
CID 70464862
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
1-(methoxymethyl)cycloheptene
CID 66889077
(1E)-1-(methylsulfanylmethyl)cyclooctene
CID 87205341
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-butylcyclononene
CID 56981158
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
dichloro-[2-(cyclohexen-1-yl)ethyl]silane
CID 154202254
1-[2-(cyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 13381213
1-(methylsulfinylmethyl)cycloheptene
CID 16743007
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004

Frequently Asked Questions

What is the IUPAC name of cyclododecen-1-ylmethanamine?
The IUPAC name of cyclododecen-1-ylmethanamine (CID 70571219) is cyclododecen-1-ylmethanamine.
What is the SMILES notation for cyclododecen-1-ylmethanamine?
The canonical SMILES for cyclododecen-1-ylmethanamine is NCC1=CCCCCCCCCCC1.
What is the InChIKey of cyclododecen-1-ylmethanamine?
The InChIKey is GQTDRYXHYGMFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10H,1-9,11-12,14H2.
What are the key properties of cyclododecen-1-ylmethanamine?
cyclododecen-1-ylmethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecen-1-ylmethanamine is sourced from PubChem (CID 70571219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).