2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol

C17H36N2O — CID 62616036

IUPAC2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCCCC1CN(CCO)C(CC)CC
InChIInChI=1S/C17H36N2O/c1-4-11-18-17-10-8-7-9-15(17)14-19(12-13-20)16(5-2)6-3/h15-18,20H,4-14H2,1-3H3
InChIKeyQSQBROOYYHXMTR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds10

About 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol

2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 62616036) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID62616036
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCCCC1CN(CCO)C(CC)CC
InChIInChI=1S/C17H36N2O/c1-4-11-18-17-10-8-7-9-15(17)14-19(12-13-20)16(5-2)6-3/h15-18,20H,4-14H2,1-3H3
InChIKeyQSQBROOYYHXMTR-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
2-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82930093
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
3-[[2-(ethylamino)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62610037
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol (CID 62616036) is 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol is CCCNC1CCCCC1CN(CCO)C(CC)CC.
What is the InChIKey of 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is QSQBROOYYHXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-11-18-17-10-8-7-9-15(17)14-19(12-13-20)16(5-2)6-3/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol?
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 62616036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).