3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine

C17H25N3 — CID 140608178

IUPAC3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
SMILESCCN(CC)C(C)CCNc1ccnc2ccccc12
InChIInChI=1S/C17H25N3/c1-4-20(5-2)14(3)10-12-18-17-11-13-19-16-9-7-6-8-15(16)17/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,18,19)
InChIKeyPQYBMKAHPXBAEJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.77
Rot. Bonds7

About 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine

3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine (PubChem CID 140608178) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
PubChem CID140608178
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
SMILESCCN(CC)C(C)CCNc1ccnc2ccccc12
InChIInChI=1S/C17H25N3/c1-4-20(5-2)14(3)10-12-18-17-11-13-19-16-9-7-6-8-15(16)17/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,18,19)
InChIKeyPQYBMKAHPXBAEJ-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine (CID 140608178) is 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine is CCN(CC)C(C)CCNc1ccnc2ccccc12.
What is the InChIKey of 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine?
The InChIKey is PQYBMKAHPXBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20(5-2)14(3)10-12-18-17-11-13-19-16-9-7-6-8-15(16)17/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,18,19).
What are the key properties of 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine?
3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine is sourced from PubChem (CID 140608178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).