[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine

C16H26N2 — CID 63222371

IUPAC[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCC(C)(C)CCN1c2ccccc2CCC1CN
InChIInChI=1S/C16H26N2/c1-16(2,3)10-11-18-14(12-17)9-8-13-6-4-5-7-15(13)18/h4-7,14H,8-12,17H2,1-3H3
InChIKeyBZORPFDVELJTOV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds3

About [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine

[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (PubChem CID 63222371) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
PubChem CID63222371
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCC(C)(C)CCN1c2ccccc2CCC1CN
InChIInChI=1S/C16H26N2/c1-16(2,3)10-11-18-14(12-17)9-8-13-6-4-5-7-15(13)18/h4-7,14H,8-12,17H2,1-3H3
InChIKeyBZORPFDVELJTOV-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 103180234
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
CID 63218976
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148
1-butyl-3,4-dihydro-2H-quinolin-2-amine
CID 146573468
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791594

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The IUPAC name of [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (CID 63222371) is [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The canonical SMILES for [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is CC(C)(C)CCN1c2ccccc2CCC1CN.
What is the InChIKey of [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The InChIKey is BZORPFDVELJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)10-11-18-14(12-17)9-8-13-6-4-5-7-15(13)18/h4-7,14H,8-12,17H2,1-3H3.
What are the key properties of [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is sourced from PubChem (CID 63222371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).