2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide

C14H21N3O2 — CID 81302452

IUPAC2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CC1CC(O)C1
InChIInChI=1S/C14H21N3O2/c1-17(8-9-5-10(18)6-9)13-7-11(19-2)3-4-12(13)14(15)16/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H3,15,16)
InChIKeyFBLSDRRHPHSDDX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds5

About 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide

2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide (PubChem CID 81302452) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
PubChem CID81302452
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CC1CC(O)C1
InChIInChI=1S/C14H21N3O2/c1-17(8-9-5-10(18)6-9)13-7-11(19-2)3-4-12(13)14(15)16/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H3,15,16)
InChIKeyFBLSDRRHPHSDDX-UHFFFAOYSA-N
XLogP1.19
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide (CID 81302452) is 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CC1CC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide?
The InChIKey is FBLSDRRHPHSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(8-9-5-10(18)6-9)13-7-11(19-2)3-4-12(13)14(15)16/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide?
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).