1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine

C11H20N2 — CID 106314909

IUPAC1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
SMILESCC1=CCCN(CC2(N)CCC2)C1
InChIInChI=1S/C11H20N2/c1-10-4-2-7-13(8-10)9-11(12)5-3-6-11/h4H,2-3,5-9,12H2,1H3
InChIKeyYNBCTJWSAUQOOE-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.52
Rot. Bonds2

About 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine

1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine (PubChem CID 106314909) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
PubChem CID106314909
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
SMILESCC1=CCCN(CC2(N)CCC2)C1
InChIInChI=1S/C11H20N2/c1-10-4-2-7-13(8-10)9-11(12)5-3-6-11/h4H,2-3,5-9,12H2,1H3
InChIKeyYNBCTJWSAUQOOE-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
CID 114490160
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114490207
1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine
CID 130847097
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine
CID 130921411
2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 89216002
2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 90393968
2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 90396310
1-ethyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-3-amine
CID 117848983
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine
CID 117932976
(3R)-1,3-dimethyl-6-[(Z)-2-methylbut-2-enyl]-4,7-dihydro-2H-azepin-3-amine
CID 139423607
N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine
CID 142227131

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine (CID 106314909) is 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine is CC1=CCCN(CC2(N)CCC2)C1.
What is the InChIKey of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine?
The InChIKey is YNBCTJWSAUQOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-4-2-7-13(8-10)9-11(12)5-3-6-11/h4H,2-3,5-9,12H2,1H3.
What are the key properties of 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine?
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106314909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).