N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine

C14H16N2O — CID 177002729

IUPACN-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine
SMILESCC1(CNc2ccnc3ccccc23)COC1
InChIInChI=1S/C14H16N2O/c1-14(9-17-10-14)8-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-10H2,1H3,(H,15,16)
InChIKeyUIGKQJRMZOPOAN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.68
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine

N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine (PubChem CID 177002729) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine
PubChem CID177002729
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine
SMILESCC1(CNc2ccnc3ccccc23)COC1
InChIInChI=1S/C14H16N2O/c1-14(9-17-10-14)8-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-10H2,1H3,(H,15,16)
InChIKeyUIGKQJRMZOPOAN-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
CID 134712707
4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181
N-ethylquinolin-4-amine
CID 15306588
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118652
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine (CID 177002729) is N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine is CC1(CNc2ccnc3ccccc23)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine?
The InChIKey is UIGKQJRMZOPOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(9-17-10-14)8-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine?
N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 177002729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).