N-(quinolin-2-ylmethyl)hex-1-yn-3-amine

C16H18N2 — CID 106227146

IUPACN-(quinolin-2-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-7-14(4-2)17-12-15-11-10-13-8-5-6-9-16(13)18-15/h2,5-6,8-11,14,17H,3,7,12H2,1H3
InChIKeyGGZRYRAFUAKEES-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.13
Rot. Bonds5

About N-(quinolin-2-ylmethyl)hex-1-yn-3-amine

N-(quinolin-2-ylmethyl)hex-1-yn-3-amine (PubChem CID 106227146) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)hex-1-yn-3-amine
PubChem CID106227146
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(quinolin-2-ylmethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-7-14(4-2)17-12-15-11-10-13-8-5-6-9-16(13)18-15/h2,5-6,8-11,14,17H,3,7,12H2,1H3
InChIKeyGGZRYRAFUAKEES-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.13
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-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
N-(1,3-benzothiazol-2-ylmethyl)hex-1-yn-3-amine
CID 106230034
6-[(hex-1-yn-3-ylamino)methyl]pyridine-2-carboxylic acid
CID 106231878
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761
N-propyl-1-quinolin-2-ylpentan-2-amine
CID 63198598
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)hex-1-yn-3-amine?
The IUPAC name of N-(quinolin-2-ylmethyl)hex-1-yn-3-amine (CID 106227146) is N-(quinolin-2-ylmethyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(quinolin-2-ylmethyl)hex-1-yn-3-amine?
The canonical SMILES for N-(quinolin-2-ylmethyl)hex-1-yn-3-amine is C#CC(CCC)NCc1ccc2ccccc2n1.
What is the InChIKey of N-(quinolin-2-ylmethyl)hex-1-yn-3-amine?
The InChIKey is GGZRYRAFUAKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-7-14(4-2)17-12-15-11-10-13-8-5-6-9-16(13)18-15/h2,5-6,8-11,14,17H,3,7,12H2,1H3.
What are the key properties of N-(quinolin-2-ylmethyl)hex-1-yn-3-amine?
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine has a molecular weight of 238.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)hex-1-yn-3-amine is sourced from PubChem (CID 106227146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).