N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine

C17H29N3 — CID 80997953

IUPACN-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)CCc1ccncc1
InChIInChI=1S/C17H29N3/c1-14(2)12-19-13-16-4-5-17(16)20(3)11-8-15-6-9-18-10-7-15/h6-7,9-10,14,16-17,19H,4-5,8,11-13H2,1-3H3
InChIKeyLFYARSCXNAGEEE-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.58
Rot. Bonds8

About N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine

N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine (PubChem CID 80997953) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
PubChem CID80997953
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)CCc1ccncc1
InChIInChI=1S/C17H29N3/c1-14(2)12-19-13-16-4-5-17(16)20(3)11-8-15-6-9-18-10-7-15/h6-7,9-10,14,16-17,19H,4-5,8,11-13H2,1-3H3
InChIKeyLFYARSCXNAGEEE-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316
N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258081
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022215
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 79828998

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine (CID 80997953) is N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine is CC(C)CNCC1CCC1N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine?
The InChIKey is LFYARSCXNAGEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)12-19-13-16-4-5-17(16)20(3)11-8-15-6-9-18-10-7-15/h6-7,9-10,14,16-17,19H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine?
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 80997953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).