2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine

C12H23NO — CID 114472487

IUPAC2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
SMILESC=C(C)CCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)5-7-13-11-6-8-14-12(3,4)9-11/h11,13H,1,5-9H2,2-4H3
InChIKeyULQHAYGITFSNIQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds4

About 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine

2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine (PubChem CID 114472487) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
PubChem CID114472487
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
SMILESC=C(C)CCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)5-7-13-11-6-8-14-12(3,4)9-11/h11,13H,1,5-9H2,2-4H3
InChIKeyULQHAYGITFSNIQ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
CID 106284664

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine (CID 114472487) is 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine is C=C(C)CCNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine?
The InChIKey is ULQHAYGITFSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)5-7-13-11-6-8-14-12(3,4)9-11/h11,13H,1,5-9H2,2-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine?
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine is sourced from PubChem (CID 114472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).