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

C15H31N3 — CID 63151207

IUPACN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCCN2CCCC2C1
InChIInChI=1S/C15H31N3/c1-3-6-14(2)16-8-12-17-9-5-11-18-10-4-7-15(18)13-17/h14-16H,3-13H2,1-2H3
InChIKeyGVVJIZGEJCDRCU-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine (PubChem CID 63151207) has the molecular formula C15H31N3 and a molecular weight of 253.43 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)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
PubChem CID63151207
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCCN2CCCC2C1
InChIInChI=1S/C15H31N3/c1-3-6-14(2)16-8-12-17-9-5-11-18-10-4-7-15(18)13-17/h14-16H,3-13H2,1-2H3
InChIKeyGVVJIZGEJCDRCU-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-propylhexan-2-amine
CID 63151141
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
CID 79945499
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylhexan-2-amine
CID 63151140
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
CID 103540061
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
[1-[2-(pentan-2-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718460
1-cyclopropyl-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]ethanamine
CID 63167458
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-(2-methoxyethyl)ethanamine
CID 55165795
N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
CID 62559487
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297

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)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine (CID 63151207) is N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine.
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)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine is CCCC(C)NCCN1CCCN2CCCC2C1.
What is the InChIKey of N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine?
The InChIKey is GVVJIZGEJCDRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-6-14(2)16-8-12-17-9-5-11-18-10-4-7-15(18)13-17/h14-16H,3-13H2,1-2H3.
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)ethyl]pentan-2-amine?
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 6 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)ethyl]pentan-2-amine is sourced from PubChem (CID 63151207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).