N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide

C16H25N3O — CID 82257098

IUPACN-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H25N3O/c1-12(17-8-9-18-13(2)20)10-14-5-6-16-15(11-14)4-3-7-19-16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyISXMOHAUAZWPGH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide

N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide (PubChem CID 82257098) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide
PubChem CID82257098
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H25N3O/c1-12(17-8-9-18-13(2)20)10-14-5-6-16-15(11-14)4-3-7-19-16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyISXMOHAUAZWPGH-UHFFFAOYSA-N
XLogP1.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
CID 116997978
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 82257028
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165
4-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]butanoic acid
CID 82257813
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
CID 82255932
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide?
The IUPAC name of N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide (CID 82257098) is N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide is CC(=O)NCCNC(C)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide?
The InChIKey is ISXMOHAUAZWPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17-8-9-18-13(2)20)10-14-5-6-16-15(11-14)4-3-7-19-16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide?
N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide is sourced from PubChem (CID 82257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).