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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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).