N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine

C17H25N3 — CID 79235712

IUPACN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)Cc1ccnc2ccccc12
InChIInChI=1S/C17H25N3/c1-14(2)12-20(11-5-9-18)13-15-8-10-19-17-7-4-3-6-16(15)17/h3-4,6-8,10,14H,5,9,11-13,18H2,1-2H3
InChIKeyPIQRHYJMRSUMOP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.04
Rot. Bonds7

About N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine

N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine (PubChem CID 79235712) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
PubChem CID79235712
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)Cc1ccnc2ccccc12
InChIInChI=1S/C17H25N3/c1-14(2)12-20(11-5-9-18)13-15-8-10-19-17-7-4-3-6-16(15)17/h3-4,6-8,10,14H,5,9,11-13,18H2,1-2H3
InChIKeyPIQRHYJMRSUMOP-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine (CID 79235712) is N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine is CC(C)CN(CCCN)Cc1ccnc2ccccc12.
What is the InChIKey of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is PIQRHYJMRSUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)12-20(11-5-9-18)13-15-8-10-19-17-7-4-3-6-16(15)17/h3-4,6-8,10,14H,5,9,11-13,18H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79235712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).