1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine

C18H34N2 — CID 63450726

IUPAC1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CN1CCCCC1)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H34N2/c1-14(13-20-10-6-5-7-11-20)19-16-12-15-8-9-18(16,4)17(15,2)3/h14-16,19H,5-13H2,1-4H3
InChIKeyDFLIYMPAVJIBJA-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds4

About 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63450726) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63450726
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CN1CCCCC1)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H34N2/c1-14(13-20-10-6-5-7-11-20)19-16-12-15-8-9-18(16,4)17(15,2)3/h14-16,19H,5-13H2,1-4H3
InChIKeyDFLIYMPAVJIBJA-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
CID 114986971
N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222947
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
N-heptan-4-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683810
1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 102557696
(2S)-1-(azepan-1-yl)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 100802838
(2R)-1-(azepan-1-yl)-4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 100895539
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 43434988
2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclopentan-1-amine
CID 79864500
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 104860074

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 63450726) is 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine is CC(CN1CCCCC1)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DFLIYMPAVJIBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14(13-20-10-6-5-7-11-20)19-16-12-15-8-9-18(16,4)17(15,2)3/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63450726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).