N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine

C17H26N2O — CID 105414481

IUPACN,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESC=CCOc1ccc(CNCC2(N(C)C)CCC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-12-20-16-8-6-15(7-9-16)13-18-14-17(19(2)3)10-5-11-17/h4,6-9,18H,1,5,10-14H2,2-3H3
InChIKeyXKMYJCUZHZWMSY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds8

About N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 105414481) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID105414481
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESC=CCOc1ccc(CNCC2(N(C)C)CCC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-12-20-16-8-6-15(7-9-16)13-18-14-17(19(2)3)10-5-11-17/h4,6-9,18H,1,5,10-14H2,2-3H3
InChIKeyXKMYJCUZHZWMSY-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]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,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 103735577
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 78957179
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine (CID 105414481) is N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine is C=CCOc1ccc(CNCC2(N(C)C)CCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is XKMYJCUZHZWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-12-20-16-8-6-15(7-9-16)13-18-14-17(19(2)3)10-5-11-17/h4,6-9,18H,1,5,10-14H2,2-3H3.
What are the key properties of N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105414481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).