N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine

C10H19NO — CID 10583268

IUPACN-tert-butyl-3-methyl-2-methylideneoxolan-3-amine
SMILESC=C1OCCC1(C)NC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8-10(5,6-7-12-8)11-9(2,3)4/h11H,1,6-7H2,2-5H3
InChIKeyDHQSMJUZNCAWKU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds1

About N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine

N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine (PubChem CID 10583268) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-methylideneoxolan-3-amine
PubChem CID10583268
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-tert-butyl-3-methyl-2-methylideneoxolan-3-amine
SMILESC=C1OCCC1(C)NC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8-10(5,6-7-12-8)11-9(2,3)4/h11H,1,6-7H2,2-5H3
InChIKeyDHQSMJUZNCAWKU-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine (CID 10583268) is N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine is C=C1OCCC1(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine?
The InChIKey is DHQSMJUZNCAWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-10(5,6-7-12-8)11-9(2,3)4/h11H,1,6-7H2,2-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine?
N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-methylideneoxolan-3-amine is sourced from PubChem (CID 10583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).