2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C16H33N3 — CID 80998648

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(CN(C)C2CCC2CNC(C)(C)C)C1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-10-14-6-7-15(14)19(5)12-13-8-9-18(4)11-13/h13-15,17H,6-12H2,1-5H3
InChIKeyZVRXUHHKVPOIIL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 80998648) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID80998648
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(CN(C)C2CCC2CNC(C)(C)C)C1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-10-14-6-7-15(14)19(5)12-13-8-9-18(4)11-13/h13-15,17H,6-12H2,1-5H3
InChIKeyZVRXUHHKVPOIIL-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 80998205
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 80998310
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
2-methyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
CID 162784925
N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
CID 80997617
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996883

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 80998648) is 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is CN1CCC(CN(C)C2CCC2CNC(C)(C)C)C1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZVRXUHHKVPOIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,3)17-10-14-6-7-15(14)19(5)12-13-8-9-18(4)11-13/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80998648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).