2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine

C16H22N2 — CID 54954967

IUPAC2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
SMILESCCC(NCc1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C16H22N2/c1-4-15(12(2)3)17-11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,12,15,17H,4,11H2,1-3H3
InChIKeySQJXHRQRFWWBBK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.76
Rot. Bonds5

About 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine

2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine (PubChem CID 54954967) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
PubChem CID54954967
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
SMILESCCC(NCc1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C16H22N2/c1-4-15(12(2)3)17-11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,12,15,17H,4,11H2,1-3H3
InChIKeySQJXHRQRFWWBBK-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine
CID 106227146
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201
N-ethyl-2-quinolin-2-ylpentan-3-amine
CID 63560957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine (CID 54954967) is 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine is CCC(NCc1ccc2ccccc2n1)C(C)C.
What is the InChIKey of 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine?
The InChIKey is SQJXHRQRFWWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-15(12(2)3)17-11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,12,15,17H,4,11H2,1-3H3.
What are the key properties of 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine?
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine has a molecular weight of 242.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 54954967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).