2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol

C15H34N2O — CID 106708019

IUPAC2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCCCC(C)(C)CN
InChIInChI=1S/C15H34N2O/c1-5-14(6-2)17(11-12-18)10-8-7-9-15(3,4)13-16/h14,18H,5-13,16H2,1-4H3
InChIKeyFOOTWBPYYOSALW-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.62
Rot. Bonds11

About 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol

2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol (PubChem CID 106708019) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
PubChem CID106708019
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCCCC(C)(C)CN
InChIInChI=1S/C15H34N2O/c1-5-14(6-2)17(11-12-18)10-8-7-9-15(3,4)13-16/h14,18H,5-13,16H2,1-4H3
InChIKeyFOOTWBPYYOSALW-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
CID 64820477
2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
CID 105344178
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol (CID 106708019) is 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CCCCC(C)(C)CN.
What is the InChIKey of 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol?
The InChIKey is FOOTWBPYYOSALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-5-14(6-2)17(11-12-18)10-8-7-9-15(3,4)13-16/h14,18H,5-13,16H2,1-4H3.
What are the key properties of 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol?
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol has a molecular weight of 258.45 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 106708019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).