3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine

C11H23NO — CID 21027153

IUPAC3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)CCNCC1CCCO1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-7-12-9-10-5-4-8-13-10/h10,12H,4-9H2,1-3H3
InChIKeyUSJHIYZKBCUEOP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine

3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine (PubChem CID 21027153) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
PubChem CID21027153
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)CCNCC1CCCO1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-7-12-9-10-5-4-8-13-10/h10,12H,4-9H2,1-3H3
InChIKeyUSJHIYZKBCUEOP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine (CID 21027153) is 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine is CC(C)(C)CCNCC1CCCO1.
What is the InChIKey of 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The InChIKey is USJHIYZKBCUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)6-7-12-9-10-5-4-8-13-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 21027153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).