1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine

C17H24N2 — CID 82577214

IUPAC1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine
SMILESCCCCc1ccc2ccnc(CC(C)(C)N)c2c1
InChIInChI=1S/C17H24N2/c1-4-5-6-13-7-8-14-9-10-19-16(15(14)11-13)12-17(2,3)18/h7-11H,4-6,12,18H2,1-3H3
InChIKeyBLKAKQFCENXDSV-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.86
Rot. Bonds5

About 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine

1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine (PubChem CID 82577214) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine
PubChem CID82577214
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine
SMILESCCCCc1ccc2ccnc(CC(C)(C)N)c2c1
InChIInChI=1S/C17H24N2/c1-4-5-6-13-7-8-14-9-10-19-16(15(14)11-13)12-17(2,3)18/h7-11H,4-6,12,18H2,1-3H3
InChIKeyBLKAKQFCENXDSV-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(7-butylisoquinolin-1-yl)propane-1,3-diamine
CID 82571189
1-[(4-butylphenyl)methyl]-7-isocyanoisoquinoline
CID 59715584
6-bromo-1-[(4-butylphenyl)methyl]isoquinoline
CID 59715711
2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine
CID 163381394
2-butyl-6-propylnaphthalene
CID 58232616
2-butyl-6-propylnaphthalene;propane
CID 123540121
2-methyl-1-(2-methyl-4-pyridinyl)propan-2-amine
CID 82596693
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
CID 146355720
4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
6-butyl-2-ethyl-3-methylquinolin-4-amine
CID 55221457
7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine
CID 153277944

Frequently Asked Questions

What is the IUPAC name of 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine (CID 82577214) is 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine is CCCCc1ccc2ccnc(CC(C)(C)N)c2c1.
What is the InChIKey of 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine?
The InChIKey is BLKAKQFCENXDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-5-6-13-7-8-14-9-10-19-16(15(14)11-13)12-17(2,3)18/h7-11H,4-6,12,18H2,1-3H3.
What are the key properties of 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine?
1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82577214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).