N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine

C14H24N2 — CID 43136076

IUPACN'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCCCCN(CCCN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-3-4-10-16(11-6-9-15)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3
InChIKeyDSOILIRWSNDIPG-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.95
Rot. Bonds7

About N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine

N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 43136076) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID43136076
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCCCCN(CCCN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-3-4-10-16(11-6-9-15)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3
InChIKeyDSOILIRWSNDIPG-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
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CID 91719494
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N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
sodium 3-(N-dodecyl-3-methylanilino)propane-1-sulfonate
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N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
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N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
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CID 61487959

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine (CID 43136076) is N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine is CCCCN(CCCN)c1cccc(C)c1.
What is the InChIKey of N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is DSOILIRWSNDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-10-16(11-6-9-15)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3.
What are the key properties of N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine?
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 43136076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).