N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide

C12H22N4O2 — CID 16758

IUPACN-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
SMILESO=C(NCCCCCCNC(=O)N1CC1)N1CC1
InChIInChI=1S/C12H22N4O2/c17-11(15-7-8-15)13-5-3-1-2-4-6-14-12(18)16-9-10-16/h1-10H2,(H,13,17)(H,14,18)
InChIKeyYVOQADGLLJCMOE-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.60
Rot. Bonds7

About N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide

N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide (PubChem CID 16758) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
PubChem CID16758
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
SMILESO=C(NCCCCCCNC(=O)N1CC1)N1CC1
InChIInChI=1S/C12H22N4O2/c17-11(15-7-8-15)13-5-3-1-2-4-6-14-12(18)16-9-10-16/h1-10H2,(H,13,17)(H,14,18)
InChIKeyYVOQADGLLJCMOE-UHFFFAOYSA-N
XLogP0.60
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-butylaziridine-1-carboxamide
CID 55206947
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
7-(thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
CID 121327450
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 62775914

Frequently Asked Questions

What is the IUPAC name of N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide?
The IUPAC name of N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide (CID 16758) is N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide.
What is the SMILES notation for N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide?
The canonical SMILES for N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide is O=C(NCCCCCCNC(=O)N1CC1)N1CC1.
What is the InChIKey of N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide?
The InChIKey is YVOQADGLLJCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c17-11(15-7-8-15)13-5-3-1-2-4-6-14-12(18)16-9-10-16/h1-10H2,(H,13,17)(H,14,18).
What are the key properties of N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide?
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide is sourced from PubChem (CID 16758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).