N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine

C12H23NO — CID 21034321

IUPACN-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
SMILESC=C(C)CN(C(C)C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12/h11-12H,1,5-9H2,2-4H3
InChIKeyJMUBRXDISOOHBA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds4

About N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine

N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine (PubChem CID 21034321) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
PubChem CID21034321
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
SMILESC=C(C)CN(C(C)C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12/h11-12H,1,5-9H2,2-4H3
InChIKeyJMUBRXDISOOHBA-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trifluoro-[3-[methyl(oxan-4-yl)amino]prop-1-en-2-yl]boranuide
CID 106745754
5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
CID 3306153
N-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 21034309
N-but-2-enyl-N-methyloxan-4-amine
CID 123376411
N-but-3-en-2-yl-N-ethyloxan-4-amine
CID 135183299
N-(2,3-dimethylbut-2-enyl)-N-methyloxan-4-amine
CID 139353040
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
CID 163516266
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
CID 103067663
N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069460
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103069461
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069462

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine (CID 21034321) is N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine is C=C(C)CN(C(C)C)C1CCOCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine?
The InChIKey is JMUBRXDISOOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12/h11-12H,1,5-9H2,2-4H3.
What are the key properties of N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine?
N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine is sourced from PubChem (CID 21034321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).