N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

C13H25NO — CID 103562425

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)9-15-6-5-14-13-7-12(8-13)11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyFUBXQIFHUVRLAD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562425) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562425
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)9-15-6-5-14-13-7-12(8-13)11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyFUBXQIFHUVRLAD-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-ethyl-4-methyl-N-(2-prop-2-enoxyethyl)heptan-1-amine
CID 166981039
5-methyl-N-(2-prop-2-enoxyethyl)hexan-2-amine
CID 62571125
N-(2-but-2-enoxyethyl)-5-methylhexan-2-amine
CID 76946801
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102952452
N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561069
N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103561829
N-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562409
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103578480
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutanamine
CID 104005635

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103562425) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine is C=C(C)COCCNC1CC(C(C)C)C1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is FUBXQIFHUVRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)9-15-6-5-14-13-7-12(8-13)11(3)4/h11-14H,1,5-9H2,2-4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).