2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol

C17H30N2O — CID 62624616

IUPAC2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
SMILESCNC(CCN(CCO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,16,18,20H,10-14H2,1-4H3
InChIKeyACFWXETXULCVAV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.51
Rot. Bonds8

About 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol

2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol (PubChem CID 62624616) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
PubChem CID62624616
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
SMILESCNC(CCN(CCO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,16,18,20H,10-14H2,1-4H3
InChIKeyACFWXETXULCVAV-UHFFFAOYSA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43841843
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2-[benzyl(2-fluoroethyl)amino]ethanol
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1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
CID 82171517
2-[benzyl-(3-methyl-4-nitrobutyl)amino]ethanol
CID 11673392
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2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070296
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol (CID 62624616) is 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol is CNC(CCN(CCO)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The InChIKey is ACFWXETXULCVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,16,18,20H,10-14H2,1-4H3.
What are the key properties of 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol is sourced from PubChem (CID 62624616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).