molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine

C14H20N2 — CID 142196706

IUPACmolecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnc2ccccc2c1.[H][H]
InChIInChI=1S/C14H18N2.H2/c1-3-11(2)15-9-12-8-13-6-4-5-7-14(13)16-10-12;/h4-8,10-11,15H,3,9H2,1-2H3;1H
InChIKeyIGQQESYZTLWPKT-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.37
Rot. Bonds4

About molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine

molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine (PubChem CID 142196706) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
PubChem CID142196706
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Namemolecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cnc2ccccc2c1.[H][H]
InChIInChI=1S/C14H18N2.H2/c1-3-11(2)15-9-12-8-13-6-4-5-7-14(13)16-10-12;/h4-8,10-11,15H,3,9H2,1-2H3;1H
InChIKeyIGQQESYZTLWPKT-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine?
The IUPAC name of molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine (CID 142196706) is molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine?
The canonical SMILES for molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine is CCC(C)NCc1cnc2ccccc2c1.[H][H].
What is the InChIKey of molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine?
The InChIKey is IGQQESYZTLWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.H2/c1-3-11(2)15-9-12-8-13-6-4-5-7-14(13)16-10-12;/h4-8,10-11,15H,3,9H2,1-2H3;1H.
What are the key properties of molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine?
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 142196706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).