4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide

C14H19F2N3 — CID 107399003

IUPAC4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)CC2CCC2)c(F)c1
InChIInChI=1S/C14H19F2N3/c1-2-19(8-9-4-3-5-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18)
InChIKeyDLPMWMRREZXENQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.88
Rot. Bonds5

About 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide

4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide (PubChem CID 107399003) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
PubChem CID107399003
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)CC2CCC2)c(F)c1
InChIInChI=1S/C14H19F2N3/c1-2-19(8-9-4-3-5-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18)
InChIKeyDLPMWMRREZXENQ-UHFFFAOYSA-N
XLogP2.88
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 107398799
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-[ethyl(oxolan-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286006
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
4-(cyclopentylmethylsulfanyl)-3,5-difluorobenzenecarboximidamide
CID 81286329
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide (CID 107399003) is 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(CC)CC2CCC2)c(F)c1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide?
The InChIKey is DLPMWMRREZXENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-2-19(8-9-4-3-5-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide?
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide has a molecular weight of 267.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 107399003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).