N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine

C15H31NO — CID 107094349

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCCOCC(NC1CC(C)(C)CC1C)C(C)C
InChIInChI=1S/C15H31NO/c1-7-17-10-14(11(2)3)16-13-9-15(5,6)8-12(13)4/h11-14,16H,7-10H2,1-6H3
InChIKeyVKGQFCPMCVHEEO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine

N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 107094349) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID107094349
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCCOCC(NC1CC(C)(C)CC1C)C(C)C
InChIInChI=1S/C15H31NO/c1-7-17-10-14(11(2)3)16-13-9-15(5,6)8-12(13)4/h11-14,16H,7-10H2,1-6H3
InChIKeyVKGQFCPMCVHEEO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine (CID 107094349) is N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine is CCOCC(NC1CC(C)(C)CC1C)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is VKGQFCPMCVHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-17-10-14(11(2)3)16-13-9-15(5,6)8-12(13)4/h11-14,16H,7-10H2,1-6H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 107094349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).