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

C15H32N2O — CID 61424771

IUPAC2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
SMILESCCCC1CCC(CN)C(N(CCC)CCO)C1
InChIInChI=1S/C15H32N2O/c1-3-5-13-6-7-14(12-16)15(11-13)17(8-4-2)9-10-18/h13-15,18H,3-12,16H2,1-2H3
InChIKeyYZDCKEDJFHFKET-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.23
Rot. Bonds8

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

2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol (PubChem CID 61424771) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
PubChem CID61424771
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
SMILESCCCC1CCC(CN)C(N(CCC)CCO)C1
InChIInChI=1S/C15H32N2O/c1-3-5-13-6-7-14(12-16)15(11-13)17(8-4-2)9-10-18/h13-15,18H,3-12,16H2,1-2H3
InChIKeyYZDCKEDJFHFKET-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
CID 61424769
2-[[2-(aminomethyl)cyclopentyl]-propylamino]ethanol
CID 61424719
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
CID 63404331
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
CID 43588332
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
CID 43530795
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol (CID 61424771) is 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol is CCCC1CCC(CN)C(N(CCC)CCO)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol?
The InChIKey is YZDCKEDJFHFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-13-6-7-14(12-16)15(11-13)17(8-4-2)9-10-18/h13-15,18H,3-12,16H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol?
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol is sourced from PubChem (CID 61424771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).