2-(aminomethyl)-12-methylidenecyclododecan-1-one

C14H25NO — CID 89281376

IUPAC2-(aminomethyl)-12-methylidenecyclododecan-1-one
SMILESC=C1CCCCCCCCCC(CN)C1=O
InChIInChI=1S/C14H25NO/c1-12-9-7-5-3-2-4-6-8-10-13(11-15)14(12)16/h13H,1-11,15H2
InChIKeyRUIMRDAVPDVUTD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds1

About 2-(aminomethyl)-12-methylidenecyclododecan-1-one

2-(aminomethyl)-12-methylidenecyclododecan-1-one (PubChem CID 89281376) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(aminomethyl)-12-methylidenecyclododecan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-12-methylidenecyclododecan-1-one
PubChem CID89281376
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(aminomethyl)-12-methylidenecyclododecan-1-one
SMILESC=C1CCCCCCCCCC(CN)C1=O
InChIInChI=1S/C14H25NO/c1-12-9-7-5-3-2-4-6-8-10-13(11-15)14(12)16/h13H,1-11,15H2
InChIKeyRUIMRDAVPDVUTD-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-12-methylidenecyclododecan-1-one?
The IUPAC name of 2-(aminomethyl)-12-methylidenecyclododecan-1-one (CID 89281376) is 2-(aminomethyl)-12-methylidenecyclododecan-1-one.
What is the SMILES notation for 2-(aminomethyl)-12-methylidenecyclododecan-1-one?
The canonical SMILES for 2-(aminomethyl)-12-methylidenecyclododecan-1-one is C=C1CCCCCCCCCC(CN)C1=O.
What is the InChIKey of 2-(aminomethyl)-12-methylidenecyclododecan-1-one?
The InChIKey is RUIMRDAVPDVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-9-7-5-3-2-4-6-8-10-13(11-15)14(12)16/h13H,1-11,15H2.
What are the key properties of 2-(aminomethyl)-12-methylidenecyclododecan-1-one?
2-(aminomethyl)-12-methylidenecyclododecan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-12-methylidenecyclododecan-1-one is sourced from PubChem (CID 89281376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).