2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine

C13H27NO — CID 139968876

IUPAC2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine
SMILESCCNCC(COC)(C1CC1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-14-9-13(10-15-5,11-7-8-11)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyRBTLXFBODNUHFI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine

2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine (PubChem CID 139968876) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine
PubChem CID139968876
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine
SMILESCCNCC(COC)(C1CC1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-14-9-13(10-15-5,11-7-8-11)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyRBTLXFBODNUHFI-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine (CID 139968876) is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine is CCNCC(COC)(C1CC1)C(C)(C)C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is RBTLXFBODNUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-14-9-13(10-15-5,11-7-8-11)12(2,3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine?
2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 139968876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).