2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol

C16H32N2O — CID 62272082

IUPAC2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCO)C2CC2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18(11-12-19)15-6-7-15/h15,17,19H,2-14H2,1H3
InChIKeyMZPLALBQTNBHAX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds9

About 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol

2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol (PubChem CID 62272082) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
PubChem CID62272082
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCO)C2CC2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18(11-12-19)15-6-7-15/h15,17,19H,2-14H2,1H3
InChIKeyMZPLALBQTNBHAX-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
CID 62261295
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
CID 102871012
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol (CID 62272082) is 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol is CCCNCC1(CN(CCO)C2CC2)CCCCC1.
What is the InChIKey of 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The InChIKey is MZPLALBQTNBHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-10-17-13-16(8-4-3-5-9-16)14-18(11-12-19)15-6-7-15/h15,17,19H,2-14H2,1H3.
What are the key properties of 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol?
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 62272082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).