5-(2,3-diaminopropoxy)pentane-1,2-diamine

C8H22N4O — CID 88686744

IUPAC5-(2,3-diaminopropoxy)pentane-1,2-diamine
SMILESNCC(N)CCCOCC(N)CN
InChIInChI=1S/C8H22N4O/c9-4-7(11)2-1-3-13-6-8(12)5-10/h7-8H,1-6,9-12H2
InChIKeyLIQRZEMMVKGDST-UHFFFAOYSA-N
MW190.29 g/mol
LogP-1.64
Rot. Bonds8

About 5-(2,3-diaminopropoxy)pentane-1,2-diamine

5-(2,3-diaminopropoxy)pentane-1,2-diamine (PubChem CID 88686744) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-(2,3-diaminopropoxy)pentane-1,2-diamine.

Molecular Properties

Compound Name5-(2,3-diaminopropoxy)pentane-1,2-diamine
PubChem CID88686744
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name5-(2,3-diaminopropoxy)pentane-1,2-diamine
SMILESNCC(N)CCCOCC(N)CN
InChIInChI=1S/C8H22N4O/c9-4-7(11)2-1-3-13-6-8(12)5-10/h7-8H,1-6,9-12H2
InChIKeyLIQRZEMMVKGDST-UHFFFAOYSA-N
XLogP-1.64
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-octoxypentane-1,2-diamine
CID 20527044
7-(2-aminobutoxy)heptan-3-amine
CID 174656192
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
1-heptoxypentan-2-amine
CID 62044754
4-[2-amino-3-(4-hydroxybutoxy)propoxy]butan-1-ol
CID 178085039
1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
CID 141280671
2-amino-3-(3-hydroxypropoxy)propan-1-ol
CID 130579095
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840
(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
1-[2-(2-aminoethoxy)ethoxy]-5-phenylpentan-2-amine
CID 153322921

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diaminopropoxy)pentane-1,2-diamine?
The IUPAC name of 5-(2,3-diaminopropoxy)pentane-1,2-diamine (CID 88686744) is 5-(2,3-diaminopropoxy)pentane-1,2-diamine.
What is the SMILES notation for 5-(2,3-diaminopropoxy)pentane-1,2-diamine?
The canonical SMILES for 5-(2,3-diaminopropoxy)pentane-1,2-diamine is NCC(N)CCCOCC(N)CN.
What is the InChIKey of 5-(2,3-diaminopropoxy)pentane-1,2-diamine?
The InChIKey is LIQRZEMMVKGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O/c9-4-7(11)2-1-3-13-6-8(12)5-10/h7-8H,1-6,9-12H2.
What are the key properties of 5-(2,3-diaminopropoxy)pentane-1,2-diamine?
5-(2,3-diaminopropoxy)pentane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of -1.64, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diaminopropoxy)pentane-1,2-diamine is sourced from PubChem (CID 88686744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).