N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine

C13H32N4 — CID 169021905

IUPACN'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCCNCCN(CCC)CCN(C)CCN
InChIInChI=1S/C13H32N4/c1-4-7-15-8-11-17(9-5-2)13-12-16(3)10-6-14/h15H,4-14H2,1-3H3
InChIKeyWDZJNWXDPFXZBQ-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.59
Rot. Bonds12

About N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine

N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 169021905) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID169021905
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCCNCCN(CCC)CCN(C)CCN
InChIInChI=1S/C13H32N4/c1-4-7-15-8-11-17(9-5-2)13-12-16(3)10-6-14/h15H,4-14H2,1-3H3
InChIKeyWDZJNWXDPFXZBQ-UHFFFAOYSA-N
XLogP0.59
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
methyl 3-[2-[2-[2-aminoethyl(propyl)amino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-(dipropylamino)ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 158496607
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N-(2-aminoethyl)-N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethyl-methylamino]ethyl]-N-[2-[2-aminoethyl-[2-[2-aminoethyl(butyl)amino]ethyl]amino]ethyl]-N'-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethyl]pentane-1,5-diamine
CID 159450647
N-(2-aminoethyl)-N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethyl-methylamino]ethyl]-N-[2-[2-aminoethyl-[2-[2-aminoethyl(butyl)amino]ethyl]amino]ethyl]-N'-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethyl]pentane-1,5-diamine
CID 160614598
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
CID 129181222
methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207706
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine (CID 169021905) is N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine is CCCNCCN(CCC)CCN(C)CCN.
What is the InChIKey of N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is WDZJNWXDPFXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-4-7-15-8-11-17(9-5-2)13-12-16(3)10-6-14/h15H,4-14H2,1-3H3.
What are the key properties of N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine?
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 244.43 g/mol, XLogP of 0.59, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 169021905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).