3-methyltricyclo[3.2.0.02,7]heptan-3-amine

C8H13N — CID 131861725

IUPAC3-methyltricyclo[3.2.0.02,7]heptan-3-amine
SMILESCC1(N)CC2CC3C2C31
InChIInChI=1S/C8H13N/c1-8(9)3-4-2-5-6(4)7(5)8/h4-7H,2-3,9H2,1H3
InChIKeyLWRWYFDUFNIISG-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.99
Rot. Bonds

About 3-methyltricyclo[3.2.0.02,7]heptan-3-amine

3-methyltricyclo[3.2.0.02,7]heptan-3-amine (PubChem CID 131861725) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-methyltricyclo[3.2.0.02,7]heptan-3-amine.

Molecular Properties

Compound Name3-methyltricyclo[3.2.0.02,7]heptan-3-amine
PubChem CID131861725
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-methyltricyclo[3.2.0.02,7]heptan-3-amine
SMILESCC1(N)CC2CC3C2C31
InChIInChI=1S/C8H13N/c1-8(9)3-4-2-5-6(4)7(5)8/h4-7H,2-3,9H2,1H3
InChIKeyLWRWYFDUFNIISG-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
1-methylcyclopropane-1,2-diamine
CID 15182447
2-methylbicyclo[2.2.0]hexan-2-amine
CID 123842739
(1R,8S)-tetracyclo[4.3.1.02,4.03,8]decan-6-amine
CID 57338028
4,5,12-trimethyltetracyclo[11.2.1.05,15.08,14]hexadecane
CID 164680322
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
4,4,6,7-tetramethyltricyclo[8.2.0.02,12]dodecane
CID 123703409
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123857656

Frequently Asked Questions

What is the IUPAC name of 3-methyltricyclo[3.2.0.02,7]heptan-3-amine?
The IUPAC name of 3-methyltricyclo[3.2.0.02,7]heptan-3-amine (CID 131861725) is 3-methyltricyclo[3.2.0.02,7]heptan-3-amine.
What is the SMILES notation for 3-methyltricyclo[3.2.0.02,7]heptan-3-amine?
The canonical SMILES for 3-methyltricyclo[3.2.0.02,7]heptan-3-amine is CC1(N)CC2CC3C2C31.
What is the InChIKey of 3-methyltricyclo[3.2.0.02,7]heptan-3-amine?
The InChIKey is LWRWYFDUFNIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(9)3-4-2-5-6(4)7(5)8/h4-7H,2-3,9H2,1H3.
What are the key properties of 3-methyltricyclo[3.2.0.02,7]heptan-3-amine?
3-methyltricyclo[3.2.0.02,7]heptan-3-amine has a molecular weight of 123.20 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltricyclo[3.2.0.02,7]heptan-3-amine is sourced from PubChem (CID 131861725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).