N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine

C17H22N2 — CID 81222405

IUPACN-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cccc2ncccc12
InChIInChI=1S/C17H22N2/c1-12(2)19-11-13-8-9-14(13)15-5-3-7-17-16(15)6-4-10-18-17/h3-7,10,12-14,19H,8-9,11H2,1-2H3
InChIKeyMKZFVPBYGMVIAO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.73
Rot. Bonds4

About N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine

N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine (PubChem CID 81222405) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine
PubChem CID81222405
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cccc2ncccc12
InChIInChI=1S/C17H22N2/c1-12(2)19-11-13-8-9-14(13)15-5-3-7-17-16(15)6-4-10-18-17/h3-7,10,12-14,19H,8-9,11H2,1-2H3
InChIKeyMKZFVPBYGMVIAO-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine (CID 81222405) is N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine is CC(C)NCC1CCC1c1cccc2ncccc12.
What is the InChIKey of N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine?
The InChIKey is MKZFVPBYGMVIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12(2)19-11-13-8-9-14(13)15-5-3-7-17-16(15)6-4-10-18-17/h3-7,10,12-14,19H,8-9,11H2,1-2H3.
What are the key properties of N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine?
N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 81222405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).