3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine

C14H29NO — CID 70644604

IUPAC3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
SMILESCCCN(CCC(C)(C)C)CC1CCOC1
InChIInChI=1S/C14H29NO/c1-5-8-15(9-7-14(2,3)4)11-13-6-10-16-12-13/h13H,5-12H2,1-4H3
InChIKeyRKECIGYQKAWKTE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.17
Rot. Bonds6

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

3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine (PubChem CID 70644604) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
PubChem CID70644604
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
SMILESCCCN(CCC(C)(C)C)CC1CCOC1
InChIInChI=1S/C14H29NO/c1-5-8-15(9-7-14(2,3)4)11-13-6-10-16-12-13/h13H,5-12H2,1-4H3
InChIKeyRKECIGYQKAWKTE-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine (CID 70644604) is 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine is CCCN(CCC(C)(C)C)CC1CCOC1.
What is the InChIKey of 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine?
The InChIKey is RKECIGYQKAWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-15(9-7-14(2,3)4)11-13-6-10-16-12-13/h13H,5-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine?
3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine is sourced from PubChem (CID 70644604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).