N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine

C15H19N — CID 86346155

IUPACN-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c2c(c1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C15H19N/c1-2-12(9-16-13-6-7-13)15-11-5-4-10(8-11)14(15)3-1/h1-3,10-11,13,16H,4-9H2/t10-,11+/m1/s1
InChIKeyWJKYCJWLLNPVQI-MNOVXSKESA-N
MW213.32 g/mol
LogP3.30
Rot. Bonds3

About N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine

N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine (PubChem CID 86346155) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine
PubChem CID86346155
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c2c(c1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C15H19N/c1-2-12(9-16-13-6-7-13)15-11-5-4-10(8-11)14(15)3-1/h1-3,10-11,13,16H,4-9H2/t10-,11+/m1/s1
InChIKeyWJKYCJWLLNPVQI-MNOVXSKESA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
CID 79889980
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
CID 82527356
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine?
The IUPAC name of N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine (CID 86346155) is N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine is c1cc(CNC2CC2)c2c(c1)[C@@H]1CC[C@H]2C1.
What is the InChIKey of N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine?
The InChIKey is WJKYCJWLLNPVQI-MNOVXSKESA-N. The full InChI is InChI=1S/C15H19N/c1-2-12(9-16-13-6-7-13)15-11-5-4-10(8-11)14(15)3-1/h1-3,10-11,13,16H,4-9H2/t10-,11+/m1/s1.
What are the key properties of N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine?
N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine has a molecular weight of 213.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine is sourced from PubChem (CID 86346155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).