N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine

C10H25N3O2 — CID 122538264

IUPACN-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine
SMILESCCNCCCCNCCCCNOO
InChIInChI=1S/C10H25N3O2/c1-2-11-7-3-4-8-12-9-5-6-10-13-15-14/h11-14H,2-10H2,1H3
InChIKeySCWBDSHGDBRQLL-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.74
Rot. Bonds12

About N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine

N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine (PubChem CID 122538264) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine
PubChem CID122538264
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC NameN-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine
SMILESCCNCCCCNCCCCNOO
InChIInChI=1S/C10H25N3O2/c1-2-11-7-3-4-8-12-9-5-6-10-13-15-14/h11-14H,2-10H2,1H3
InChIKeySCWBDSHGDBRQLL-UHFFFAOYSA-N
XLogP0.74
TPSA65.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 19356099
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CID 87998915
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CID 10443396
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CID 53873002
CID 53873002
CID 87070038
CID 87070038
CID 87070250
CID 87070250
CID 87070251
CID 87070251
CID 87282484
CID 87282484
CID 87282486
CID 87282486
CID 87572071
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CID 87658459
CID 87658459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine (CID 122538264) is N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine is CCNCCCCNCCCCNOO.
What is the InChIKey of N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine?
The InChIKey is SCWBDSHGDBRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2/c1-2-11-7-3-4-8-12-9-5-6-10-13-15-14/h11-14H,2-10H2,1H3.
What are the key properties of N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine?
N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 0.74, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-(hydroperoxyamino)butyl]butane-1,4-diamine is sourced from PubChem (CID 122538264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).