2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine

C15H23N3 — CID 82384775

IUPAC2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
SMILESNC1CC2CN(Cc3ccccc3)CCCN2C1
InChIInChI=1S/C15H23N3/c16-14-9-15-12-17(7-4-8-18(15)11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2
InChIKeyWYVNLQCKNXJNTH-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.29
Rot. Bonds2

About 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine

2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine (PubChem CID 82384775) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine.

Molecular Properties

Compound Name2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
PubChem CID82384775
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
SMILESNC1CC2CN(Cc3ccccc3)CCCN2C1
InChIInChI=1S/C15H23N3/c16-14-9-15-12-17(7-4-8-18(15)11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2
InChIKeyWYVNLQCKNXJNTH-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine with MolForge

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine
CID 130751645
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
(1-benzylazepan-3-yl)methanamine
CID 15718476
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)aniline
CID 63149912
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine?
The IUPAC name of 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine (CID 82384775) is 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine.
What is the SMILES notation for 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine?
The canonical SMILES for 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine is NC1CC2CN(Cc3ccccc3)CCCN2C1.
What is the InChIKey of 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine?
The InChIKey is WYVNLQCKNXJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-14-9-15-12-17(7-4-8-18(15)11-14)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2.
What are the key properties of 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine?
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine has a molecular weight of 245.37 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine is sourced from PubChem (CID 82384775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).