3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine

C17H24N2 — CID 63852270

IUPAC3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccnc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-14(5-2)13(3)19-12-15-10-11-18-17-9-7-6-8-16(15)17/h6-11,13-14,19H,4-5,12H2,1-3H3
InChIKeyXPJQTGAEFRUBIX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds6

About 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine

3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine (PubChem CID 63852270) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
PubChem CID63852270
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccnc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-14(5-2)13(3)19-12-15-10-11-18-17-9-7-6-8-16(15)17/h6-11,13-14,19H,4-5,12H2,1-3H3
InChIKeyXPJQTGAEFRUBIX-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
3-(quinolin-4-ylmethylamino)pentanenitrile
CID 55251720
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406
4-(2-ethylbutyl)quinoline
CID 143495355

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine (CID 63852270) is 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine is CCC(CC)C(C)NCc1ccnc2ccccc12.
What is the InChIKey of 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine?
The InChIKey is XPJQTGAEFRUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-14(5-2)13(3)19-12-15-10-11-18-17-9-7-6-8-16(15)17/h6-11,13-14,19H,4-5,12H2,1-3H3.
What are the key properties of 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine?
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 63852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).