2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol

C10H22N2O — CID 165469506

IUPAC2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol
SMILESCC1(CN)CCC(NCCO)CC1
InChIInChI=1S/C10H22N2O/c1-10(8-11)4-2-9(3-5-10)12-6-7-13/h9,12-13H,2-8,11H2,1H3
InChIKeyHXMVIWYCXFFKPA-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.48
Rot. Bonds4

About 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol

2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol (PubChem CID 165469506) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol
PubChem CID165469506
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol
SMILESCC1(CN)CCC(NCCO)CC1
InChIInChI=1S/C10H22N2O/c1-10(8-11)4-2-9(3-5-10)12-6-7-13/h9,12-13H,2-8,11H2,1H3
InChIKeyHXMVIWYCXFFKPA-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(aminomethyl)-4-[ethenyl-(methylideneamino)amino]cyclohexyl]amino]ethanol
CID 123389449
4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine
CID 165469452
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
CID 64913852
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
2-[[1-(aminomethyl)-2-methylcyclobutyl]amino]ethanol
CID 130554597

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol (CID 165469506) is 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol is CC1(CN)CCC(NCCO)CC1.
What is the InChIKey of 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol?
The InChIKey is HXMVIWYCXFFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(8-11)4-2-9(3-5-10)12-6-7-13/h9,12-13H,2-8,11H2,1H3.
What are the key properties of 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol?
2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol is sourced from PubChem (CID 165469506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).