3-cyclododecylidenepropan-1-amine

C15H29N — CID 63968852

IUPAC3-cyclododecylidenepropan-1-amine
SMILESNCCC=C1CCCCCCCCCCC1
InChIInChI=1S/C15H29N/c16-14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h13H,1-12,14,16H2
InChIKeyIAHLYDZSAPHHCR-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.57
Rot. Bonds2

About 3-cyclododecylidenepropan-1-amine

3-cyclododecylidenepropan-1-amine (PubChem CID 63968852) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-cyclododecylidenepropan-1-amine.

Molecular Properties

Compound Name3-cyclododecylidenepropan-1-amine
PubChem CID63968852
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-cyclododecylidenepropan-1-amine
SMILESNCCC=C1CCCCCCCCCCC1
InChIInChI=1S/C15H29N/c16-14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h13H,1-12,14,16H2
InChIKeyIAHLYDZSAPHHCR-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclododecylidenepropan-1-amine?
The IUPAC name of 3-cyclododecylidenepropan-1-amine (CID 63968852) is 3-cyclododecylidenepropan-1-amine.
What is the SMILES notation for 3-cyclododecylidenepropan-1-amine?
The canonical SMILES for 3-cyclododecylidenepropan-1-amine is NCCC=C1CCCCCCCCCCC1.
What is the InChIKey of 3-cyclododecylidenepropan-1-amine?
The InChIKey is IAHLYDZSAPHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c16-14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h13H,1-12,14,16H2.
What are the key properties of 3-cyclododecylidenepropan-1-amine?
3-cyclododecylidenepropan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecylidenepropan-1-amine is sourced from PubChem (CID 63968852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).