2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine

C16H26N2 — CID 62263973

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-9-16(2,12-17)13-18-10-8-14-6-4-5-7-15(14)11-18/h4-7H,3,8-13,17H2,1-2H3
InChIKeyKUFAYWOZIMHJAZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.81
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine (PubChem CID 62263973) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
PubChem CID62263973
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-9-16(2,12-17)13-18-10-8-14-6-4-5-7-15(14)11-18/h4-7H,3,8-13,17H2,1-2H3
InChIKeyKUFAYWOZIMHJAZ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanal
CID 62277527
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
CID 99109813
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
CID 60846487
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 62263191
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pentan-1-amine
CID 62262306
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-2-amine
CID 60853318
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314619

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine (CID 62263973) is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine is CCCC(C)(CN)CN1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine?
The InChIKey is KUFAYWOZIMHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-9-16(2,12-17)13-18-10-8-14-6-4-5-7-15(14)11-18/h4-7H,3,8-13,17H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 62263973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).