N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

C18H31N3 — CID 81000122

IUPACN-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCCN(Cc1cccc(C)n1)C1CCC1CNCC(C)C
InChIInChI=1S/C18H31N3/c1-5-21(13-17-8-6-7-15(4)20-17)18-10-9-16(18)12-19-11-14(2)3/h6-8,14,16,18-19H,5,9-13H2,1-4H3
InChIKeyTVVGTLYPRVTTIX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.24
Rot. Bonds8

About N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 81000122) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID81000122
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCCN(Cc1cccc(C)n1)C1CCC1CNCC(C)C
InChIInChI=1S/C18H31N3/c1-5-21(13-17-8-6-7-15(4)20-17)18-10-9-16(18)12-19-11-14(2)3/h6-8,14,16,18-19H,5,9-13H2,1-4H3
InChIKeyTVVGTLYPRVTTIX-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (CID 81000122) is N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is CCN(Cc1cccc(C)n1)C1CCC1CNCC(C)C.
What is the InChIKey of N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is TVVGTLYPRVTTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(13-17-8-6-7-15(4)20-17)18-10-9-16(18)12-19-11-14(2)3/h6-8,14,16,18-19H,5,9-13H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81000122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).