1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine

C13H25N — CID 22767572

IUPAC1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine
SMILESCNC(C)CC12CCC(CC1)C2(C)C
InChIInChI=1S/C13H25N/c1-10(14-4)9-13-7-5-11(6-8-13)12(13,2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyKDBVDEXGNKCESL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds3

About 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine

1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine (PubChem CID 22767572) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine
PubChem CID22767572
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine
SMILESCNC(C)CC12CCC(CC1)C2(C)C
InChIInChI=1S/C13H25N/c1-10(14-4)9-13-7-5-11(6-8-13)12(13,2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyKDBVDEXGNKCESL-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine (CID 22767572) is 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine is CNC(C)CC12CCC(CC1)C2(C)C.
What is the InChIKey of 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine?
The InChIKey is KDBVDEXGNKCESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(14-4)9-13-7-5-11(6-8-13)12(13,2)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine?
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-methylpropan-2-amine is sourced from PubChem (CID 22767572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).