2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol

C13H28N2O — CID 61424769

IUPAC2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
SMILESCCCN(CCO)C1CC(C)CCC1CN
InChIInChI=1S/C13H28N2O/c1-3-6-15(7-8-16)13-9-11(2)4-5-12(13)10-14/h11-13,16H,3-10,14H2,1-2H3
InChIKeyMZOLESSNFBVPRN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds6

About 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol

2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol (PubChem CID 61424769) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
PubChem CID61424769
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
SMILESCCCN(CCO)C1CC(C)CCC1CN
InChIInChI=1S/C13H28N2O/c1-3-6-15(7-8-16)13-9-11(2)4-5-12(13)10-14/h11-13,16H,3-10,14H2,1-2H3
InChIKeyMZOLESSNFBVPRN-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771
2-[[2-(aminomethyl)cyclopentyl]-propylamino]ethanol
CID 61424719
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
CID 54985135
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
CID 54985664
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
CID 61440402
trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
CID 102731968
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80997965
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
CID 63404331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol (CID 61424769) is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol is CCCN(CCO)C1CC(C)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol?
The InChIKey is MZOLESSNFBVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-6-15(7-8-16)13-9-11(2)4-5-12(13)10-14/h11-13,16H,3-10,14H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol?
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol is sourced from PubChem (CID 61424769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).