N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine

C10H20N2O2 — CID 88786116

IUPACN,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
SMILESC(CCNCC1CO1)CNCC1CO1
InChIInChI=1S/C10H20N2O2/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-12H,1-8H2
InChIKeyNOHONCGGZHYFGX-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.26
Rot. Bonds9

About N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine

N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine (PubChem CID 88786116) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
PubChem CID88786116
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
SMILESC(CCNCC1CO1)CNCC1CO1
InChIInChI=1S/C10H20N2O2/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-12H,1-8H2
InChIKeyNOHONCGGZHYFGX-UHFFFAOYSA-N
XLogP-0.26
TPSA49.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine (CID 88786116) is N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine is C(CCNCC1CO1)CNCC1CO1.
What is the InChIKey of N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine?
The InChIKey is NOHONCGGZHYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-12H,1-8H2.
What are the key properties of N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine?
N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine has a molecular weight of 200.28 g/mol, XLogP of -0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 88786116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).