N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine

C19H24N2 — CID 115797726

IUPACN-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CC2CC2C1
InChIInChI=1S/C19H24N2/c1-2-7-20-19(16-10-14-9-15(14)11-16)17-8-13-5-3-4-6-18(13)21-12-17/h3-6,8,12,14-16,19-20H,2,7,9-11H2,1H3
InChIKeyXQJNIHINFOXVAG-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.32
Rot. Bonds5

About N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine

N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine (PubChem CID 115797726) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
PubChem CID115797726
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CC2CC2C1
InChIInChI=1S/C19H24N2/c1-2-7-20-19(16-10-14-9-15(14)11-16)17-8-13-5-3-4-6-18(13)21-12-17/h3-6,8,12,14-16,19-20H,2,7,9-11H2,1H3
InChIKeyXQJNIHINFOXVAG-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65334716
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 82887052
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
CID 116720466
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine
CID 107187856
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine (CID 115797726) is N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine is CCCNC(c1cnc2ccccc2c1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine?
The InChIKey is XQJNIHINFOXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-7-20-19(16-10-14-9-15(14)11-16)17-8-13-5-3-4-6-18(13)21-12-17/h3-6,8,12,14-16,19-20H,2,7,9-11H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine?
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115797726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).