N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine

C14H22N2O — CID 63557163

IUPACN'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)C2CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-12-4-2-5-13(10-12)16(8-3-7-15)14-6-9-17-11-14/h2,4-5,10,14H,3,6-9,11,15H2,1H3
InChIKeyYCXCENNKVMTQBP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds5

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

N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 63557163) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID63557163
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)C2CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-12-4-2-5-13(10-12)16(8-3-7-15)14-6-9-17-11-14/h2,4-5,10,14H,3,6-9,11,15H2,1H3
InChIKeyYCXCENNKVMTQBP-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(oxan-3-yl)-N'-phenylpropane-1,3-diamine
CID 107134572
N'-(oxan-4-yl)-N'-phenylpropane-1,3-diamine
CID 63935814
3-N-(oxolan-3-yl)-3-N-propylbenzene-1,3-diamine
CID 63559160
N'-(3-methylphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine
CID 83822938
N'-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 63936019
N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 82927448
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
CID 64989721
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine (CID 63557163) is N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine is Cc1cccc(N(CCCN)C2CCOC2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is YCXCENNKVMTQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-4-2-5-13(10-12)16(8-3-7-15)14-6-9-17-11-14/h2,4-5,10,14H,3,6-9,11,15H2,1H3.
What are the key properties of N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine?
N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 63557163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).