N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine

C17H31N3O — CID 63151702

IUPACN-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC2CN(CC3CCC(CNC4CC4)O3)CCCN2C1
InChIInChI=1S/C17H31N3O/c1-3-15-12-19(8-2-10-20(15)9-1)13-17-7-6-16(21-17)11-18-14-4-5-14/h14-18H,1-13H2
InChIKeyFHQMZZWFHDSNSH-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.46
Rot. Bonds5

About N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine

N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 63151702) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
PubChem CID63151702
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC2CN(CC3CCC(CNC4CC4)O3)CCCN2C1
InChIInChI=1S/C17H31N3O/c1-3-15-12-19(8-2-10-20(15)9-1)13-17-7-6-16(21-17)11-18-14-4-5-14/h14-18H,1-13H2
InChIKeyFHQMZZWFHDSNSH-UHFFFAOYSA-N
XLogP1.46
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270
[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 63167470
N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62775547
N-[[5-[(2,2-dimethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 55161751
2-(cyclobutylmethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925982
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 63025337
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]methanamine
CID 79532956
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
2-[(4-ethylcyclohexyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939394
2-(2-bromoethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151080

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of 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) is N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine is C1CC2CN(CC3CCC(CNC4CC4)O3)CCCN2C1.
What is the InChIKey of N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is FHQMZZWFHDSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-15-12-19(8-2-10-20(15)9-1)13-17-7-6-16(21-17)11-18-14-4-5-14/h14-18H,1-13H2.
What are the key properties of N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 293.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63151702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).