1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline

C13H17N — CID 64905082

IUPAC1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CC1CC1
InChIInChI=1S/C13H17N/c1-2-4-12-11(3-1)7-8-14-13(12)9-10-5-6-10/h1-4,10,13-14H,5-9H2
InChIKeyHCOKYPHLVSXKMD-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.67
Rot. Bonds2

About 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline

1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64905082) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID64905082
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CC1CC1
InChIInChI=1S/C13H17N/c1-2-4-12-11(3-1)7-8-14-13(12)9-10-5-6-10/h1-4,10,13-14H,5-9H2
InChIKeyHCOKYPHLVSXKMD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
2-Benzylpiperidine
CID 118004
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 100137
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
7-Iodo-1,2,3,4-tetrahydroisoquinoline
CID 5288606
3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10654599
5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-, (+-)-
CID 3039371
(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 1382087

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 64905082) is 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HCOKYPHLVSXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-4-12-11(3-1)7-8-14-13(12)9-10-5-6-10/h1-4,10,13-14H,5-9H2.
What are the key properties of 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline?
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 187.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64905082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).