4,7-dimethylbicyclo[9.1.1]tridecan-12-amine

C15H29N — CID 175638861

IUPAC4,7-dimethylbicyclo[9.1.1]tridecan-12-amine
SMILESCC1CCCC2CC(CCC(C)CC1)C2N
InChIInChI=1S/C15H29N/c1-11-4-3-5-13-10-14(15(13)16)9-8-12(2)7-6-11/h11-15H,3-10,16H2,1-2H3
InChIKeyDIYBOSNABQNNGY-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.97
Rot. Bonds

About 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine

4,7-dimethylbicyclo[9.1.1]tridecan-12-amine (PubChem CID 175638861) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine.

Molecular Properties

Compound Name4,7-dimethylbicyclo[9.1.1]tridecan-12-amine
PubChem CID175638861
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name4,7-dimethylbicyclo[9.1.1]tridecan-12-amine
SMILESCC1CCCC2CC(CCC(C)CC1)C2N
InChIInChI=1S/C15H29N/c1-11-4-3-5-13-10-14(15(13)16)9-8-12(2)7-6-11/h11-15H,3-10,16H2,1-2H3
InChIKeyDIYBOSNABQNNGY-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine?
The IUPAC name of 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine (CID 175638861) is 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine.
What is the SMILES notation for 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine?
The canonical SMILES for 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine is CC1CCCC2CC(CCC(C)CC1)C2N.
What is the InChIKey of 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine?
The InChIKey is DIYBOSNABQNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-4-3-5-13-10-14(15(13)16)9-8-12(2)7-6-11/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine?
4,7-dimethylbicyclo[9.1.1]tridecan-12-amine has a molecular weight of 223.40 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylbicyclo[9.1.1]tridecan-12-amine is sourced from PubChem (CID 175638861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).