6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol

C19H44N4O — CID 53441021

IUPAC6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
SMILESCNCCCNCCCCCCNCCCNCCCCCCO
InChIInChI=1S/C19H44N4O/c1-20-12-10-16-21-13-6-2-3-7-14-22-17-11-18-23-15-8-4-5-9-19-24/h20-24H,2-19H2,1H3
InChIKeyAGOGAABGPVJBCG-UHFFFAOYSA-N
MW344.59 g/mol
LogP1.87
Rot. Bonds21

About 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol

6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol (PubChem CID 53441021) has the molecular formula C19H44N4O and a molecular weight of 344.59 g/mol. Its IUPAC name is 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
PubChem CID53441021
Molecular FormulaC19H44N4O
Molecular Weight344.59 g/mol
Exact Mass344.35
IUPAC Name6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
SMILESCNCCCNCCCCCCNCCCNCCCCCCO
InChIInChI=1S/C19H44N4O/c1-20-12-10-16-21-13-6-2-3-7-14-22-17-11-18-23-15-8-4-5-9-19-24/h20-24H,2-19H2,1H3
InChIKeyAGOGAABGPVJBCG-UHFFFAOYSA-N
XLogP1.87
TPSA68.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
8-(undecylamino)octan-1-ol
CID 139305047
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium
CID 58806019
N-methyloctan-1-amine;propan-1-ol
CID 88540071

Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol?
The IUPAC name of 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol (CID 53441021) is 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol.
What is the SMILES notation for 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol?
The canonical SMILES for 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol is CNCCCNCCCCCCNCCCNCCCCCCO.
What is the InChIKey of 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol?
The InChIKey is AGOGAABGPVJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O/c1-20-12-10-16-21-13-6-2-3-7-14-22-17-11-18-23-15-8-4-5-9-19-24/h20-24H,2-19H2,1H3.
What are the key properties of 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol?
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol has a molecular weight of 344.59 g/mol, XLogP of 1.87, 21 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol is sourced from PubChem (CID 53441021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).