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

C14H27N3 — CID 79469057

IUPAC3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(N2CCCN3CCCC3C2)C1
InChIInChI=1S/C14H27N3/c15-12-4-1-5-13(10-12)17-9-3-8-16-7-2-6-14(16)11-17/h12-14H,1-11,15H2
InChIKeyKFQFVOPUXXPOSD-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.43
Rot. Bonds1

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

3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine (PubChem CID 79469057) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
PubChem CID79469057
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(N2CCCN3CCCC3C2)C1
InChIInChI=1S/C14H27N3/c15-12-4-1-5-13(10-12)17-9-3-8-16-7-2-6-14(16)11-17/h12-14H,1-11,15H2
InChIKeyKFQFVOPUXXPOSD-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine with MolForge

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Related Compounds

1-cyclobutylpiperidin-3-amine
CID 63935163
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432
1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
CID 164658033
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
1-(3-propan-2-ylcyclohexyl)piperidin-3-amine
CID 107449487

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine (CID 79469057) is 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine is NC1CCCC(N2CCCN3CCCC3C2)C1.
What is the InChIKey of 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine?
The InChIKey is KFQFVOPUXXPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c15-12-4-1-5-13(10-12)17-9-3-8-16-7-2-6-14(16)11-17/h12-14H,1-11,15H2.
What are the key properties of 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine?
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79469057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).