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

C11H24N2O — CID 114466208

IUPAC2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CCC
InChIInChI=1S/C11H24N2O/c1-4-5-11(8-12)13-6-7-14-9-10(2)3/h11,13H,2,4-9,12H2,1,3H3
InChIKeyWXUIERJZRBIVDZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.30
Rot. Bonds9

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

2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (PubChem CID 114466208) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
PubChem CID114466208
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CCC
InChIInChI=1S/C11H24N2O/c1-4-5-11(8-12)13-6-7-14-9-10(2)3/h11,13H,2,4-9,12H2,1,3H3
InChIKeyWXUIERJZRBIVDZ-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.30
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'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894079
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466709
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (CID 114466208) is 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is C=C(C)COCCNC(CN)CCC.
What is the InChIKey of 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The InChIKey is WXUIERJZRBIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-5-11(8-12)13-6-7-14-9-10(2)3/h11,13H,2,4-9,12H2,1,3H3.
What are the key properties of 2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.30, 9 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]pentane-1,2-diamine is sourced from PubChem (CID 114466208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).