N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine

C14H27NO — CID 102641239

IUPACN-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCOC(C)(C)C)CNC1CC1
InChIInChI=1S/C14H27NO/c1-6-14(5,11-15-12-7-8-12)9-10-16-13(2,3)4/h6,12,15H,1,7-11H2,2-5H3
InChIKeyLGVSKFCGTHRMIH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine

N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine (PubChem CID 102641239) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
PubChem CID102641239
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCOC(C)(C)C)CNC1CC1
InChIInChI=1S/C14H27NO/c1-6-14(5,11-15-12-7-8-12)9-10-16-13(2,3)4/h6,12,15H,1,7-11H2,2-5H3
InChIKeyLGVSKFCGTHRMIH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
N-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 106931005
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
CID 102641124
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine (CID 102641239) is N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine is C=CC(C)(CCOC(C)(C)C)CNC1CC1.
What is the InChIKey of N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine?
The InChIKey is LGVSKFCGTHRMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(5,11-15-12-7-8-12)9-10-16-13(2,3)4/h6,12,15H,1,7-11H2,2-5H3.
What are the key properties of N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine?
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).