(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine

C11H23N3 — CID 103934627

IUPAC(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
SMILESC[C@@H](N)CN1CCCN2CCCC2C1
InChIInChI=1S/C11H23N3/c1-10(12)8-13-5-3-7-14-6-2-4-11(14)9-13/h10-11H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyJUCHKDIMAILUBN-NFJWQWPMSA-N
MW197.33 g/mol
LogP0.50
Rot. Bonds2

About (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine

(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine (PubChem CID 103934627) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
PubChem CID103934627
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
SMILESC[C@@H](N)CN1CCCN2CCCC2C1
InChIInChI=1S/C11H23N3/c1-10(12)8-13-5-3-7-14-6-2-4-11(14)9-13/h10-11H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyJUCHKDIMAILUBN-NFJWQWPMSA-N
XLogP0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-2-amine
CID 63150745
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methoxypropan-1-amine
CID 106114808
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-cyclopentyl-N-methylethanamine
CID 104746104
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(propan-2-ylamino)propanenitrile
CID 63150560
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine?
The IUPAC name of (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine (CID 103934627) is (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine is C[C@@H](N)CN1CCCN2CCCC2C1.
What is the InChIKey of (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine?
The InChIKey is JUCHKDIMAILUBN-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(12)8-13-5-3-7-14-6-2-4-11(14)9-13/h10-11H,2-9,12H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine?
(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine has a molecular weight of 197.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine is sourced from PubChem (CID 103934627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).