N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine

C17H22N2 — CID 79328770

IUPACN-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1ccc2ncccc2c1)CNC(C)C
InChIInChI=1S/C17H22N2/c1-4-14(12-19-13(2)3)10-15-7-8-17-16(11-15)6-5-9-18-17/h5-11,13,19H,4,12H2,1-3H3
InChIKeyUVXUXUIMWQMUCP-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.03
Rot. Bonds5

About N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine

N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine (PubChem CID 79328770) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
PubChem CID79328770
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1ccc2ncccc2c1)CNC(C)C
InChIInChI=1S/C17H22N2/c1-4-14(12-19-13(2)3)10-15-7-8-17-16(11-15)6-5-9-18-17/h5-11,13,19H,4,12H2,1-3H3
InChIKeyUVXUXUIMWQMUCP-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
methyl 3-methyl-2-(quinolin-6-ylmethylideneamino)butanoate
CID 175059701
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine?
The IUPAC name of N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine (CID 79328770) is N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine?
The canonical SMILES for N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine is CCC(=Cc1ccc2ncccc2c1)CNC(C)C.
What is the InChIKey of N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine?
The InChIKey is UVXUXUIMWQMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14(12-19-13(2)3)10-15-7-8-17-16(11-15)6-5-9-18-17/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine?
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79328770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).