1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine

C17H24N2 — CID 79558495

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2CC1CC2CCC1C2
InChIInChI=1S/C17H24N2/c18-16-4-1-5-17-15(16)3-2-8-19(17)11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14H,2-3,6-11,18H2
InChIKeyKDJIFCSTIZDAHD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.46
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 79558495) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine
PubChem CID79558495
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2CC1CC2CCC1C2
InChIInChI=1S/C17H24N2/c18-16-4-1-5-17-15(16)3-2-8-19(17)11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14H,2-3,6-11,18H2
InChIKeyKDJIFCSTIZDAHD-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine
CID 153287574
1-Propyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 28343321
1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-amine
CID 22980391
4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 45357568
6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
CID 122392661
(1-Bicyclo[2.2.1]hept-2-ylethyl)[4-(dimethylamino)benzyl]amine hydrochloride
CID 2967206
N-benzyl-1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methanamine
CID 125427447
(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 45791428
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-1-phenyl-methanamine
CID 126827020
N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline
CID 10561936
1-Benzyl-4'-methyl-3',4'-dihydro-1'h-spiro[piperidine-4,2'-quinoline]
CID 21859865
2-methyl-N-[2-(6H-phenanthridin-5-yl)ethyl]propan-1-amine
CID 90934124

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine (CID 79558495) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is KDJIFCSTIZDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-16-4-1-5-17-15(16)3-2-8-19(17)11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14H,2-3,6-11,18H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 256.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 79558495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).