N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C12H26N2O — CID 107446237

IUPACN'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCNC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)10-15-9-8-13-6-7-14-12(3,4)5/h13-14H,1,6-10H2,2-5H3
InChIKeyMBSCNNSIKAYKNZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.56
Rot. Bonds8

About N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 107446237) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID107446237
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCNC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)10-15-9-8-13-6-7-14-12(3,4)5/h13-14H,1,6-10H2,2-5H3
InChIKeyMBSCNNSIKAYKNZ-UHFFFAOYSA-N
XLogP1.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.56
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-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-methyl-N-(2-prop-2-enoxyethyl)propan-2-amine
CID 62442092
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
2-methyl-N-[2-(3-methylidenemorpholin-4-yl)ethyl]propan-2-amine
CID 157542226
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 62342401
N',N'-dimethyl-N-(2-prop-2-enoxyethyl)ethane-1,2-diamine
CID 62571450
N',N'-diethyl-N-(2-prop-2-enoxyethyl)ethane-1,2-diamine
CID 62571452
1-[2-(2-Methylprop-2-enoxy)ethyl]piperazine
CID 82353032

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 107446237) is N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is MBSCNNSIKAYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)10-15-9-8-13-6-7-14-12(3,4)5/h13-14H,1,6-10H2,2-5H3.
What are the key properties of N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107446237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).