N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

C17H33N3O — CID 62775547

IUPACN-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCC(C)CN1CCN(CC2CCC(CNC3CC3)O2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)12-19-7-9-20(10-8-19)13-17-6-5-16(21-17)11-18-15-3-4-15/h14-18H,3-13H2,1-2H3
InChIKeyRJSHPNLCELMZJA-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds7

About N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62775547) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62775547
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCC(C)CN1CCN(CC2CCC(CNC3CC3)O2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)12-19-7-9-20(10-8-19)13-17-6-5-16(21-17)11-18-15-3-4-15/h14-18H,3-13H2,1-2H3
InChIKeyRJSHPNLCELMZJA-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62437899
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444938
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 63151702
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 63025337
1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62412100
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931828
N-[[5-[(2,2-dimethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 55161751
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62463360

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62775547) is N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is CC(C)CN1CCN(CC2CCC(CNC3CC3)O2)CC1.
What is the InChIKey of N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is RJSHPNLCELMZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)12-19-7-9-20(10-8-19)13-17-6-5-16(21-17)11-18-15-3-4-15/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62775547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).