(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C10H19N — CID 167133847

IUPAC(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC[C@@H]1CC[C@@H]2CCNCC2C1
InChIInChI=1S/C10H19N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-11H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyLEURAINGWVMVPF-MGRQHWMJSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds

About (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 167133847) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID167133847
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC[C@@H]1CC[C@@H]2CCNCC2C1
InChIInChI=1S/C10H19N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-11H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyLEURAINGWVMVPF-MGRQHWMJSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 167133847) is (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is C[C@@H]1CC[C@@H]2CCNCC2C1.
What is the InChIKey of (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is LEURAINGWVMVPF-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-11H,2-7H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline has a molecular weight of 153.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 167133847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).