N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine

C10H17NO — CID 90880975

IUPACN-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine
SMILESC=C(C)C(=C)CNC1CCOC1
InChIInChI=1S/C10H17NO/c1-8(2)9(3)6-11-10-4-5-12-7-10/h10-11H,1,3-7H2,2H3
InChIKeyQNNLXMZIKJRECM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds4

About N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine

N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine (PubChem CID 90880975) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine
PubChem CID90880975
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine
SMILESC=C(C)C(=C)CNC1CCOC1
InChIInChI=1S/C10H17NO/c1-8(2)9(3)6-11-10-4-5-12-7-10/h10-11H,1,3-7H2,2H3
InChIKeyQNNLXMZIKJRECM-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylidenebutyl)oxolan-3-amine
CID 80712888
(3R)-N-(2-methylprop-2-enyl)oxolan-3-amine
CID 163433163
Ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
CID 176568687
N-(4-methoxybutan-2-yl)-2-methylidenebutan-1-amine
CID 66044032
N-(2-ethoxyethyl)-2-methylidenebutan-1-amine
CID 66044257
N-(1-methoxypropan-2-yl)-2-methylidenebutan-1-amine
CID 66044487
N-(2-butoxyethyl)-2-methylidenebutan-1-amine
CID 66044501
1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine
CID 66044999
N-(1-ethoxypropan-2-yl)-2-methylidenebutan-1-amine
CID 66046418
N-[2-(3-methylbutoxy)ethyl]-2-methylidenebutan-1-amine
CID 66047123
N-(1-methoxybutan-2-yl)-2-methylidenebutan-1-amine
CID 66047134
1-methoxy-N-(2-methylidenebutyl)pentan-2-amine
CID 66047135

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine?
The IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine (CID 90880975) is N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine.
What is the SMILES notation for N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine?
The canonical SMILES for N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine is C=C(C)C(=C)CNC1CCOC1.
What is the InChIKey of N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine?
The InChIKey is QNNLXMZIKJRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)9(3)6-11-10-4-5-12-7-10/h10-11H,1,3-7H2,2H3.
What are the key properties of N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine?
N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine is sourced from PubChem (CID 90880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).