2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

C10H22N2O — CID 114466732

IUPAC2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)CN
InChIInChI=1S/C10H22N2O/c1-4-10(7-11)12-5-6-13-8-9(2)3/h10,12H,2,4-8,11H2,1,3H3
InChIKeyMIBQIDWWQCPBAM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.91
Rot. Bonds8

About 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466732) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466732
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)CN
InChIInChI=1S/C10H22N2O/c1-4-10(7-11)12-5-6-13-8-9(2)3/h10,12H,2,4-8,11H2,1,3H3
InChIKeyMIBQIDWWQCPBAM-UHFFFAOYSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine 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

2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
2-N-[2-(3-aminopropylamino)ethyl]-1-N-ethyl-3-prop-2-enoxypropane-1,2-diamine
CID 142226775
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
CID 146259276
N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
CID 174317493
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 62342401
1-[2-(2-Methylprop-2-enoxy)ethyl]piperazine
CID 82353032
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine
CID 103439387

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466732) is 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CC)CN.
What is the InChIKey of 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is MIBQIDWWQCPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(7-11)12-5-6-13-8-9(2)3/h10,12H,2,4-8,11H2,1,3H3.
What are the key properties of 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).