(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine

C9H19FN2 — CID 126605051

IUPAC(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine
SMILESCN/C=C(\C)N(C)CCCCF
InChIInChI=1S/C9H19FN2/c1-9(8-11-2)12(3)7-5-4-6-10/h8,11H,4-7H2,1-3H3/b9-8+
InChIKeyKKXAZAXQBWZNNZ-CMDGGOBGSA-N
MW174.26 g/mol
LogP1.75
Rot. Bonds6

About (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine

(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine (PubChem CID 126605051) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine
PubChem CID126605051
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine
SMILESCN/C=C(\C)N(C)CCCCF
InChIInChI=1S/C9H19FN2/c1-9(8-11-2)12(3)7-5-4-6-10/h8,11H,4-7H2,1-3H3/b9-8+
InChIKeyKKXAZAXQBWZNNZ-CMDGGOBGSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-N-(4-fluorobutyl)-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 126605050
(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
CID 146266307
5-fluoro-N-prop-1-en-2-ylpentan-1-amine
CID 169972047
2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
CID 178011043
3-N-methyl-3-N-[(Z)-3,3,3-trifluoro-1-(methylamino)prop-1-en-2-yl]butane-1,3-diamine
CID 162596054
1-N-(2-fluoropropyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 170727794
N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine
CID 58500440
Trimethyl-[2-(propan-2-ylamino)prop-1-enyl]azanium
CID 90902665
(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine
CID 121420133
Trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium
CID 123855769
(E)-2-N-ethenyl-2-N-ethyl-1-N-methylprop-1-ene-1,2-diamine
CID 134603362
N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine
CID 138576390

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine (CID 126605051) is (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine is CN/C=C(\C)N(C)CCCCF.
What is the InChIKey of (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine?
The InChIKey is KKXAZAXQBWZNNZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(8-11-2)12(3)7-5-4-6-10/h8,11H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine?
(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine has a molecular weight of 174.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine is sourced from PubChem (CID 126605051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).