1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine

C15H19IN2 — CID 107859459

IUPAC1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
SMILESCC(C)C(CI)NCc1cccc2cccnc12
InChIInChI=1S/C15H19IN2/c1-11(2)14(9-16)18-10-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,11,14,18H,9-10H2,1-2H3
InChIKeyWWFXPGDHOGESBZ-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.78
Rot. Bonds5

About 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine

1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine (PubChem CID 107859459) has the molecular formula C15H19IN2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
PubChem CID107859459
Molecular FormulaC15H19IN2
Molecular Weight354.24 g/mol
Exact Mass354.06
IUPAC Name1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
SMILESCC(C)C(CI)NCc1cccc2cccnc12
InChIInChI=1S/C15H19IN2/c1-11(2)14(9-16)18-10-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,11,14,18H,9-10H2,1-2H3
InChIKeyWWFXPGDHOGESBZ-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
1-cyclopropyl-2,2-dimethyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 166234986
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine?
The IUPAC name of 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine (CID 107859459) is 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine?
The canonical SMILES for 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine is CC(C)C(CI)NCc1cccc2cccnc12.
What is the InChIKey of 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine?
The InChIKey is WWFXPGDHOGESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2/c1-11(2)14(9-16)18-10-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,11,14,18H,9-10H2,1-2H3.
What are the key properties of 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine?
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine has a molecular weight of 354.24 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine is sourced from PubChem (CID 107859459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).