2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine

C12H26N2 — CID 80999159

IUPAC2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCCNCC1CCC1N(C)CC(C)C
InChIInChI=1S/C12H26N2/c1-5-13-8-11-6-7-12(11)14(4)9-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPXVQDNFKEYHPCV-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds6

About 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine

2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 80999159) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID80999159
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCCNCC1CCC1N(C)CC(C)C
InChIInChI=1S/C12H26N2/c1-5-13-8-11-6-7-12(11)14(4)9-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPXVQDNFKEYHPCV-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine (CID 80999159) is 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine is CCNCC1CCC1N(C)CC(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is PXVQDNFKEYHPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-13-8-11-6-7-12(11)14(4)9-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 80999159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).