2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline

C18H25N — CID 171523168

IUPAC2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
SMILESC=C(C)c1ccc2c(c1)CN(CC1CCCC1)CC2
InChIInChI=1S/C18H25N/c1-14(2)17-8-7-16-9-10-19(13-18(16)11-17)12-15-5-3-4-6-15/h7-8,11,15H,1,3-6,9-10,12-13H2,2H3
InChIKeyFLHKDMOFVSIKQN-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.27
Rot. Bonds3

About 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline

2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 171523168) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID171523168
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
SMILESC=C(C)c1ccc2c(c1)CN(CC1CCCC1)CC2
InChIInChI=1S/C18H25N/c1-14(2)17-8-7-16-9-10-19(13-18(16)11-17)12-15-5-3-4-6-15/h7-8,11,15H,1,3-6,9-10,12-13H2,2H3
InChIKeyFLHKDMOFVSIKQN-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
2-(cyclohexylmethyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline;oxalic acid
CID 68687781
1-[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2,4-triazole-3,5-diamine
CID 66694890
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
CID 84738511
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705986
2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705965
2-(cyclohexylmethyl)-7-[3-[(2S)-1-methylpyrrolidin-2-yl]propylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 147852794
N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 156705872

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline (CID 171523168) is 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline is C=C(C)c1ccc2c(c1)CN(CC1CCCC1)CC2.
What is the InChIKey of 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FLHKDMOFVSIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-14(2)17-8-7-16-9-10-19(13-18(16)11-17)12-15-5-3-4-6-15/h7-8,11,15H,1,3-6,9-10,12-13H2,2H3.
What are the key properties of 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline?
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171523168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).