N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine

C12H26N2 — CID 80997727

IUPACN-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCCC(C)N(CC)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-5-10(3)14(6-2)12-8-7-11(12)9-13-4/h10-13H,5-9H2,1-4H3
InChIKeyDWZHWWLDSUDPMH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds6

About N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine

N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine (PubChem CID 80997727) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
PubChem CID80997727
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCCC(C)N(CC)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-5-10(3)14(6-2)12-8-7-11(12)9-13-4/h10-13H,5-9H2,1-4H3
InChIKeyDWZHWWLDSUDPMH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 112665966
2-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylcyclobutan-1-amine
CID 80998217
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
CID 114011270
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 80997690
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
1-[ethyl-(2-ethylcyclobutyl)amino]ethanol
CID 89249159
2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
CID 81004629
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine (CID 80997727) is N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine is CCC(C)N(CC)C1CCC1CNC.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine?
The InChIKey is DWZHWWLDSUDPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10(3)14(6-2)12-8-7-11(12)9-13-4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine?
N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80997727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).