N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

C12H14N2 — CID 79079711

IUPACN-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCNC1CCCc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-8-13-11-7-3-5-10-6-4-9-14-12(10)11/h1,4,6,9,11,13H,3,5,7-8H2
InChIKeySWRXDRGVOSHXIJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.68
Rot. Bonds2

About N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079711) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079711
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCNC1CCCc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-8-13-11-7-3-5-10-6-4-9-14-12(10)11/h1,4,6,9,11,13H,3,5,7-8H2
InChIKeySWRXDRGVOSHXIJ-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
N-(2-methoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 102695976
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079711) is N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is C#CCNC1CCCc2cccnc21.
What is the InChIKey of N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is SWRXDRGVOSHXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-8-13-11-7-3-5-10-6-4-9-14-12(10)11/h1,4,6,9,11,13H,3,5,7-8H2.
What are the key properties of N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 186.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).