N-(3-fluoropropyl)-N-methylmethanimidamide

C5H11FN2 — CID 54223803

IUPACN-(3-fluoropropyl)-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CCCF
InChIInChI=1S/C5H11FN2/c1-8(5-7)4-2-3-6/h5,7H,2-4H2,1H3/b7-5+
InChIKeySTHVSEZUCKIKFG-FNORWQNLSA-N
MW118.15 g/mol
LogP0.88
Rot. Bonds4

About N-(3-fluoropropyl)-N-methylmethanimidamide

N-(3-fluoropropyl)-N-methylmethanimidamide (PubChem CID 54223803) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-methylmethanimidamide
PubChem CID54223803
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC NameN-(3-fluoropropyl)-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CCCF
InChIInChI=1S/C5H11FN2/c1-8(5-7)4-2-3-6/h5,7H,2-4H2,1H3/b7-5+
InChIKeySTHVSEZUCKIKFG-FNORWQNLSA-N
XLogP0.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N,N-Dipropylimidoformamide
CID 87832225
N-methyl-N-propylformamidine
CID 19782058
N-(2-fluoroethyl)-N-methylmethanimidamide
CID 53690279
N-(difluoromethyl)-N-ethylmethanimidamide
CID 89233536
1-Methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 64246265
1-Propyl-1-(trifluoromethyl)guanidine
CID 154316155
N-butyl-N-(4-fluorobutyl)methanimidamide
CID 171108801
N-butyl-N-methylmethanimidamide
CID 12914603
N-ethyl-N-methylmethanimidamide
CID 20348162
N-methyl-N-propylmethanimidamide
CID 91040161
N-methyl-N-(2-methylpropyl)methanimidamide
CID 123491740
N-ethyl-N-propylmethanimidamide
CID 123711409

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-methylmethanimidamide?
The IUPAC name of N-(3-fluoropropyl)-N-methylmethanimidamide (CID 54223803) is N-(3-fluoropropyl)-N-methylmethanimidamide.
What is the SMILES notation for N-(3-fluoropropyl)-N-methylmethanimidamide?
The canonical SMILES for N-(3-fluoropropyl)-N-methylmethanimidamide is [H]/N=C/N(C)CCCF.
What is the InChIKey of N-(3-fluoropropyl)-N-methylmethanimidamide?
The InChIKey is STHVSEZUCKIKFG-FNORWQNLSA-N. The full InChI is InChI=1S/C5H11FN2/c1-8(5-7)4-2-3-6/h5,7H,2-4H2,1H3/b7-5+.
What are the key properties of N-(3-fluoropropyl)-N-methylmethanimidamide?
N-(3-fluoropropyl)-N-methylmethanimidamide has a molecular weight of 118.15 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-methylmethanimidamide is sourced from PubChem (CID 54223803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).