1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane

C10H24N2O2 — CID 158073129

IUPAC1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane
SMILESC.NCCCCCCNCC(=O)CO
InChIInChI=1S/C9H20N2O2.CH4/c10-5-3-1-2-4-6-11-7-9(13)8-12;/h11-12H,1-8,10H2;1H4
InChIKeyFMAXVXWNXQXMNL-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.29
Rot. Bonds9

About 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane

1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane (PubChem CID 158073129) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane.

Molecular Properties

Compound Name1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane
PubChem CID158073129
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane
SMILESC.NCCCCCCNCC(=O)CO
InChIInChI=1S/C9H20N2O2.CH4/c10-5-3-1-2-4-6-11-7-9(13)8-12;/h11-12H,1-8,10H2;1H4
InChIKeyFMAXVXWNXQXMNL-UHFFFAOYSA-N
XLogP0.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
CID 15689284
1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
7-amino-1-hydroxyheptan-2-one
CID 58492627
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
2-(3-aminopropylamino)acetamide
CID 59908103
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane?
The IUPAC name of 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane (CID 158073129) is 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane.
What is the SMILES notation for 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane?
The canonical SMILES for 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane is C.NCCCCCCNCC(=O)CO.
What is the InChIKey of 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane?
The InChIKey is FMAXVXWNXQXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.CH4/c10-5-3-1-2-4-6-11-7-9(13)8-12;/h11-12H,1-8,10H2;1H4.
What are the key properties of 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane?
1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane has a molecular weight of 204.31 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane is sourced from PubChem (CID 158073129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).