2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol

C17H34N2O2 — CID 62392902

IUPAC2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-3-16(4-2)19(9-10-20)14-17(7-11-21-12-8-17)13-18-15-5-6-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeyRAQYWMLECZJGOX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds10

About 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol

2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol (PubChem CID 62392902) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
PubChem CID62392902
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-3-16(4-2)19(9-10-20)14-17(7-11-21-12-8-17)13-18-15-5-6-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeyRAQYWMLECZJGOX-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol with MolForge

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Related Compounds

2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392859
2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 63739818
N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391501
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 63955478
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391146
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
CID 62392050
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
CID 62390236
N-[[4-(2-propan-2-yloxyethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905041
N-[[1-[[propan-2-yl(propyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62263309

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol (CID 62392902) is 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol?
The InChIKey is RAQYWMLECZJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-16(4-2)19(9-10-20)14-17(7-11-21-12-8-17)13-18-15-5-6-15/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol?
2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62392902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).