N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine

C14H23N3 — CID 105416373

IUPACN,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCc2ccncc2)CCC1
InChIInChI=1S/C14H23N3/c1-17(2)14(7-3-8-14)12-16-11-6-13-4-9-15-10-5-13/h4-5,9-10,16H,3,6-8,11-12H2,1-2H3
InChIKeyIOUGVVHHYZAKBX-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds6

About N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine (PubChem CID 105416373) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
PubChem CID105416373
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCc2ccncc2)CCC1
InChIInChI=1S/C14H23N3/c1-17(2)14(7-3-8-14)12-16-11-6-13-4-9-15-10-5-13/h4-5,9-10,16H,3,6-8,11-12H2,1-2H3
InChIKeyIOUGVVHHYZAKBX-UHFFFAOYSA-N
XLogP1.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
CID 114756649
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 104760595
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine (CID 105416373) is N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine is CN(C)C1(CNCCc2ccncc2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine?
The InChIKey is IOUGVVHHYZAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(2)14(7-3-8-14)12-16-11-6-13-4-9-15-10-5-13/h4-5,9-10,16H,3,6-8,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).