2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol

C14H31N3O — CID 64790790

IUPAC2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
SMILESCCC1CN(CCCCC(C)(N)CO)CCN1C
InChIInChI=1S/C14H31N3O/c1-4-13-11-17(10-9-16(13)3)8-6-5-7-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3
InChIKeyALKVHVDPODFALE-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.89
Rot. Bonds7

About 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol

2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol (PubChem CID 64790790) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
PubChem CID64790790
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
SMILESCCC1CN(CCCCC(C)(N)CO)CCN1C
InChIInChI=1S/C14H31N3O/c1-4-13-11-17(10-9-16(13)3)8-6-5-7-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3
InChIKeyALKVHVDPODFALE-UHFFFAOYSA-N
XLogP0.89
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.89
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

2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64787261
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
CID 106808728
4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
CID 63636075
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730
4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
CID 63635899
2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
CID 64787073
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63635256
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanoic acid
CID 63635258

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol (CID 64790790) is 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol is CCC1CN(CCCCC(C)(N)CO)CCN1C.
What is the InChIKey of 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol?
The InChIKey is ALKVHVDPODFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-13-11-17(10-9-16(13)3)8-6-5-7-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3.
What are the key properties of 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol?
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 64790790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).