N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine

C16H31N3 — CID 63151841

IUPACN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CCCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-14(12-17-15-6-2-3-7-15)19-11-5-10-18-9-4-8-16(18)13-19/h14-17H,2-13H2,1H3
InChIKeyJRHBBPCJGKUEKD-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine

N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine (PubChem CID 63151841) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine
PubChem CID63151841
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CCCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-14(12-17-15-6-2-3-7-15)19-11-5-10-18-9-4-8-16(18)13-19/h14-17H,2-13H2,1H3
InChIKeyJRHBBPCJGKUEKD-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclohexanamine
CID 79945637
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(3-ethylpiperidin-1-yl)propyl]cyclohexanamine
CID 62569538
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclohexanamine
CID 62556762
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
2-(4-methylhexan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925697
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanenitrile
CID 62111995
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 63150586

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine?
The IUPAC name of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine (CID 63151841) is N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine is CC(CNC1CCCC1)N1CCCN2CCCC2C1.
What is the InChIKey of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine?
The InChIKey is JRHBBPCJGKUEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(12-17-15-6-2-3-7-15)19-11-5-10-18-9-4-8-16(18)13-19/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine?
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63151841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).