N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

C17H28N2 — CID 80998488

IUPACN-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-10-17(16)19(3)13-15-7-5-4-6-8-15/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyVKNXHCAVJHDHFP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.14
Rot. Bonds7

About N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (PubChem CID 80998488) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
PubChem CID80998488
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-10-17(16)19(3)13-15-7-5-4-6-8-15/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyVKNXHCAVJHDHFP-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-2-[(2-methylpropylamino)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-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81000122
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (CID 80998488) is N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is CC(C)CNCC1CCC1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The InChIKey is VKNXHCAVJHDHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-10-17(16)19(3)13-15-7-5-4-6-8-15/h4-8,14,16-18H,9-13H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80998488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).