1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C16H25NO — CID 115651580

IUPAC1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H25NO/c1-11-6-8-18-13(11)10-17-14-9-12-5-7-16(14,4)15(12,2)3/h6,8,12,14,17H,5,7,9-10H2,1-4H3
InChIKeyVSRILOYPHLEMPU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.89
Rot. Bonds3

About 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115651580) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115651580
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H25NO/c1-11-6-8-18-13(11)10-17-14-9-12-5-7-16(14,4)15(12,2)3/h6,8,12,14,17H,5,7,9-10H2,1-4H3
InChIKeyVSRILOYPHLEMPU-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]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

(1S,2R,4R)-1,7,7-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 99846801
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
CID 63427518
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 115651580) is 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1ccoc1CNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is VSRILOYPHLEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-8-18-13(11)10-17-14-9-12-5-7-16(14,4)15(12,2)3/h6,8,12,14,17H,5,7,9-10H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.89, 3 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-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115651580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).