1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione

C14H26N4O2 — CID 62890091

IUPAC1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
SMILESCN(C)CC1CCCN1C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H26N4O2/c1-16(2)11-12-5-3-9-18(12)14(20)13(19)17-8-4-6-15-7-10-17/h12,15H,3-11H2,1-2H3
InChIKeyASPAZWCBPZLKJV-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione

1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione (PubChem CID 62890091) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
PubChem CID62890091
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
SMILESCN(C)CC1CCCN1C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H26N4O2/c1-16(2)11-12-5-3-9-18(12)14(20)13(19)17-8-4-6-15-7-10-17/h12,15H,3-11H2,1-2H3
InChIKeyASPAZWCBPZLKJV-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 55249454
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428532
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76975757

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione (CID 62890091) is 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione is CN(C)CC1CCCN1C(=O)C(=O)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione?
The InChIKey is ASPAZWCBPZLKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-16(2)11-12-5-3-9-18(12)14(20)13(19)17-8-4-6-15-7-10-17/h12,15H,3-11H2,1-2H3.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione?
1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione has a molecular weight of 282.39 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 62890091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).