N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine

C15H31N3O — CID 145216933

IUPACN'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCNC)CCCN(C1CC1)C1COC1
InChIInChI=1S/C15H31N3O/c1-3-17(9-4-8-16-2)10-5-11-18(14-6-7-14)15-12-19-13-15/h14-16H,3-13H2,1-2H3
InChIKeyPPHRIXNATXPDAD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds11

About N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine

N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine (PubChem CID 145216933) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine
PubChem CID145216933
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCNC)CCCN(C1CC1)C1COC1
InChIInChI=1S/C15H31N3O/c1-3-17(9-4-8-16-2)10-5-11-18(14-6-7-14)15-12-19-13-15/h14-16H,3-13H2,1-2H3
InChIKeyPPHRIXNATXPDAD-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
4-[3-(diethylamino)propylamino]oxolan-3-ol
CID 60896657
N'-ethyl-N-methyl-N'-[3-(methylideneamino)propyl]propane-1,3-diamine
CID 89212435
N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
CID 156874721
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
CID 145029071
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N-cyclopropyl-N-pentylcyclopropanamine
CID 91246836
(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
CID 126846675
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
3-(dicyclopropylamino)propan-1-ol
CID 146482071
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031

Frequently Asked Questions

What is the IUPAC name of N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine (CID 145216933) is N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine is CCN(CCCNC)CCCN(C1CC1)C1COC1.
What is the InChIKey of N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The InChIKey is PPHRIXNATXPDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-17(9-4-8-16-2)10-5-11-18(14-6-7-14)15-12-19-13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 145216933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).